Compound: dioxybenzone
SMILES: O=C(c1c(O)cc(OC)cc1)c2c(O)cccc2
InChIKey: MEZZCSHVIGVWFI-UHFFFAOYSA-N
Synonyms: dioxybenzone, 131-53-3, 2,2'-DIHYDROXY-4-METHOXYBENZOPHENONE, Dioxybenzon, Spectra-sorb UV 24, Cyasorb UV 24, Advastab 47, (2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone, Methanone, (2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-, Dioxibenzona, Dioxibenzonum, Cyasorb UV 24 Light Absorber, UV 24, Dioxybenzonum, NSC-56769, DTXSID3022403, Benzophenone, 2,2'-dihydroxy-4-methoxy-, B762XZ551X, (2-hydroxy-4-methoxy-phenyl)-(2-hydroxyphenyl)methanone, NSC56769, DTXCID202403, RefChem:440272, 205-026-8, Benzophenone-8, UF 2, (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone, 2-(2-hydroxybenzoyl)-5-methoxyphenol, Benzophenone-8;UV-24, 2,2-Dihydroxy-4-Methoxybenzophenone, MFCD00002218, 2,2'-dihydroxy-4-methoxy benzophenone, NCGC00016393-01, CAS-131-53-3, 2,2 inverted exclamation marka-Dihydroxy-4-methoxybenzophenone, Dioxybenzonum [INN-Latin], Dioxibenzona [INN-Spanish], CCRIS 6231, Spectra-Sorb UV-24, 2-hydroxy-4-methoxyphenyl 2-hydroxyphenyl ketone, SR-05000001610, EINECS 205-026-8, NSC 56769, BRN 2055461, UNII-B762XZ551X, AI3-25363, Dioxybenzone [USAN:USP:INN], Spectro-sorb UV 24, Spectrum_000978, Dioxybenzone (Standard), Prestwick0_000898, Prestwick1_000898, Prestwick2_000898, Prestwick3_000898, Spectrum2_001032, Spectrum3_000399, Spectrum4_000519, Spectrum5_000913, Dioxybenzone (USP/INN), DIOXYBENZONE [MI], DIOXYBENZONE [INN], DIOXYBENZONE [USAN], DIOXYBENZONE [VANDF], SCHEMBL15894, BSPBio_000716, BSPBio_002217, DIOXYBENZONE [MART.], KBioGR_001097, KBioSS_001458, MLS002154056, BIDD:ER0352, DIOXYBENZONE [USP-RS], DIOXYBENZONE [WHO-DD], SPECTRUM1500255, SPBio_001243, SPBio_002925, BPBio1_000788, orb1310374, orb3139570, CHEMBL1326877, SCHEMBL11633906, SCHEMBL29354139, SCHEMBL29364693, SCHEMBL29365575, CHEBI:34208, Dioxybenzone, analytical standard, HSDB 8474, HY-B0966R, KBio2_001458, KBio2_004026, KBio2_006594, KBio3_001437, component of Solaquin (Salt/Mix), HMS1570D18, HMS1920I04, HMS2091O12, HMS2097D18, HMS2235J06, HMS3371G16, HMS3714D18, HMS5083B21, Pharmakon1600-01500255, 2,2'-dihydroxy-methoxybenzophenone, HY-B0966, DIOXYBENZONE [USP MONOGRAPH], Tox21_110417, Tox21_200993, CCG-40196, EBC-26293, MSK005029, NSC756742, s4607, SBB057333, AKOS015856203, Benzophenone,2'-dihydroxy-4-methoxy-, Tox21_110417_1, 2,2'-dihydroxy-4-methoxy-benzophenone, 2,2'-dihydroxy-4-methoxybenzo-phenone, 2,2\'-Dihydroxy-4-methoxybenzophenone, CS-4451, DB11221, FD62643, KS-5318, MSK005029-100M, NSC-756742, MSK005029-1000M, NCGC00016393-02, NCGC00016393-03, NCGC00016393-04, NCGC00016393-07, NCGC00094657-01, NCGC00094657-02, NCGC00258546-01, 2,2a(2)-Dihydroxy-4-methoxybenzophenone, DA-52573, SMR001233373, ST033388, SBI-0051353.P003, 2,2'-Dihydroxy-4-methoxybenzophenone, 98%, AB00051973, D0586, Dioxybenzone Solution in Methanol, 100ug/mL, NS00005730, T0698, Dioxybenzone Solution in Methanol, 1000ug/mL, D03853, D89684, AB00051973_08, EN300-7377478, Q2533641, SR-05000001610-1, SR-05000001610-3, BRD-K22193694-001-05-2, BRD-K22193694-001-08-6, BRD-K22193694-001-13-6, S4607 2,2 inverted exclamation marka-Dihydroxy-4-methoxyb, Dioxybenzone, United States Pharmacopeia (USP) Reference Standard
Theoretical properties:
molecular_formula: C14H12O4
molecular_weight: 244.24 g/mol
exact_mass: 244.07355886 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 18
topological_polar_surface_area: 66.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow powder
color: Yellow powder
boiling_point: 338 to 347 °F at 1 mmHg (NTP, 1992)
density: 1.39 g/cu cm at 22.7 °C
solubility: Practically insoluble in water
Descriptions:
pubchem: 2,2'-Dihydroxy-4-methoxybenzophenone is a member of benzophenones.
chembl: DIOXYBENZONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Dioxybenzone (benzophenone-8) is an organic compound used in sunscreen to block UVB and short-wave UVA (ultraviolet) rays. It is a derivative of benzophenone. It is a yellow powder with a melting point of 68 °C.  It is insoluble in water, but moderately soluble in ethanol and isopropanol.