Compound: Avobenzone
SMILES: O=C(c1ccc(OC)cc1)CC(=O)c2ccc(C(C)(C)C)cc2
InChIKey: XNEFYCZVKIDDMS-UHFFFAOYSA-N
Synonyms: Avobenzone, 70356-09-1, Parsol 1789, Butyl methoxydibenzoylmethane, Escalol 517, Eusolex 9020, Avobenzona, NeoHeliopan 357, Avobenzonum, 4-TERT-BUTYL-4'-METHOXYDIBENZOYLMETHANE, G63QQF2NOX, 1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)-, NSC-758680, 1-(p-tert-Butylphenyl)-3-(p-methoxyphenyl)-1,3-propanedione, 1,3-Propanedione, 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)-, 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)-1,3-propanedione, parsol-1789, BMDBM cpd, butyl-methoxydibenzoylmethane, help me, Ponds Clarant B3, Ponds Vao-B3, Duane Reade Sunscreen, Dynamic Skin Recovery, RefChem:5574, Exchange Select Sunscreen, Duane Reade Sport Sunscreen, Anti-Dark Moisturizing Cream, Duane Reade Sports Sunscreen, Exchange Select Baby Sunscreen, Exchange Select Kids Sunscreen, Duane Reade Oil Free Sunscreen, Duane Reade Sunscreen SPF 30, Duane Reade Sunscreen SPF 50, Duane Reade Sunscreen SPF 70, Dynamic Skin Recovery SPF 50, Exchange Select Sunscreen SPF 50, Duane Reade Baby SunscreenSPF 50, Duane Reade Sport Sunscreen SPF 50, LEADERS SUNBUDDY ALL OVER SUN, Duane Reade Sports Sunscreen SPF 30, Duane Reade Sports Sunscreen SPF 50, Exchange Select Baby Sunscreen SPF 50, Exchange Select Kids Sunscreen SPF 50, Duane Reade Oil Free Sunscreen SPF 30, Duane Reade Prevail Moisturizing Sunscreen, Duane Reade Baby SunscreenSPF 50 SPF 50, Coppertone Pure and Simple Kids Suncreen SPF 50, Duane Reade Prevail Moisturizing Sunscreen SPF 80, help me broad spectrum spf 30 sunscreen retinol day treatment lotion, 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione, 4-tert-Butyl-4'-methoxy-dibenzoylmethane, 1-(4-(tert-Butyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione, 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)-1,3-propanedione, MFCD00210252, 1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)-1,3-propanedione, DTXSID9044829, NCGC00095112-01, Parsol A, DTXCID7024829, Avobenzonum [INN-Latin], 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione, Avobenzona [INN-Spanish], SMR001562107, CAS-70356-09-1, HSDB 7423, EINECS 274-581-6, UNII-G63QQF2NOX, Avobenzone [USAN:USP:INN], Avobenzone (Standard), 4-methoxy-4'-tert-butyldibenzoylmethane, Spectrum_001715, AVOBENZONE [MI], SpecPlus_000764, Avobenzone (USP/INN), AVOBENZONE [INN], Spectrum2_001663, Spectrum3_000990, Spectrum4_001116, Spectrum5_001358, AVOBENZONE [HSDB], AVOBENZONE [USAN], GlyTouCan:G58983DB, Avobenzone(Parsol 1789), EC 274-581-6, AVOBENZONE [MART.], But ylmethoxydibenzoylmethane, AVOBENZONE [USP-RS], AVOBENZONE [WHO-DD], Avobenzone (Parsol 1789), SCHEMBL15650, BSPBio_002659, KBioGR_001592, KBioSS_002195, MLS002695918, MLS006010050, BIDD:ER0196, DivK1c_006860, SPECTRUM1504190, SPBio_001845, Avobenzone, analytical standard, orb1310377, orb3139313, SCHEMBL9403511, AVOBENZONE [ORANGE BOOK], CHEMBL1200522, HY-B0316R, KBio1_001804, KBio2_002195, KBio2_004763, KBio2_007331, KBio3_001879, AVOBENZONE [USP IMPURITY], MSK3417, MSK3417-100GMW, CHEBI:134751, AVOBENZONE [USP MONOGRAPH], GLXC-07780, HMS1922F17, HMS2093C04, HMS3655C22, HMS3715F14, HMS5080B03, MSK3417-1000GMW, Pharmakon1600-01504190, 1-[4-(tert-Butyl)phenyl]-3-(4-methoxyphenyl)-1,3-propanedione, G58983DB, HY-B0316, Tox21_111427, Tox21_202796, CCG-39080, EBC-26733, NSC758680, s1904, 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedi- one, AKOS015838120, Tox21_111427_1, AC-1682, DB09495, FA18034, NSC 758680, ANTHELIOS SX COMPONENT AVOBENZONE, NCGC00095112-02, NCGC00095112-03, NCGC00095112-04, NCGC00095112-05, NCGC00260342-01, 4'-Tert-Butyl-4-Methoxy-Dibenzoylmethane, AS-12797, CAPITAL SOLEIL COMPONENT AVOBENZONE, SHADE UVAGUARD COMPONENT AVOBENZONE, SY057444, SBI-0052777.P002, B3382, NS00002639, SW219665-1, A10905, D03015, AB00053273_04, AB00053273_05, EN300-7406285, SR-05000001974, Q2775914, SR-05000001974-1, BRD-K14401183-001-10-7, BRD-K14401183-001-11-5, 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-propane-1,3-dione, 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propan-1,3-dione, Avobenzone, United States Pharmacopeia (USP) Reference Standard, 1-(4-Methoxyphenyl)-3-(4-(tert)-butylphenyl)-1,3-propanedione, Avobenzone, Pharmaceutical Secondary Standard; Certified Reference Material, Butyl methoxydibenzoylmethane Solution in Methanol/THF/Water, 1000ug/mL, Butyl methoxydibenzoylmethane Solution in Methanol/THF/Water, 100ug/mL
Theoretical properties:
molecular_formula: C20H22O3
molecular_weight: 310.4 g/mol
exact_mass: 310.15689456 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 6
heavy_atom_count: 23
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from methanol
color: Crystals from methanol
odor: Slightly aromatic
melting_point: 83.5 °C
solubility: Solubility at 20 °C: glycerin, 0.1% w/w; ethanol and isopropanol, 2% w/w
vapor_pressure: 0.0000014 [mmHg]
Descriptions:
pubchem: Avobenzone is a member of dihydrochalcones.
chembl: AVOBENZONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Avobenzone (trade names Parsol 1789, Milestab 1789, Eusolex 9020, Escalol 517, Neo Heliopan 357 and others, INCI Butyl Methoxydibenzoylmethane) is an organic molecule and an oil-soluble ingredient used in sunscreen products to absorb the full spectrum of UVA rays.