Compound: 4-Methoxybenzaldehyde
SMILES: O=Cc1ccc(OC)cc1
InChIKey: ZRSNZINYAWTAHE-UHFFFAOYSA-N
Synonyms: 4-Methoxybenzaldehyde, 123-11-5, P-ANISALDEHYDE, Anisaldehyde, p-Methoxybenzaldehyde, 4-Anisaldehyde, Benzaldehyde, 4-methoxy-, Crategine, p-Formylanisole, Obepin, p-Anisic aldehyde, para-anisaldehyde, 4-Methoxy-benzaldehyde, FEMA No. 2670, DTXSID2026997, 9PA5V6656V, NSC-5590, DTXCID906997, CHEBI:28235, RefChem:44849, 204-602-6, 256-891-3, Anisic aldehyde, Aubepine, MFCD00003385, 4-methoxy benzaldehyde, anisal, NSC 5590, p-methoxy benzaldehyde, para-methoxybenzaldehyde, 50984-52-6, p-Methoxybenzaldehyde-13C6, CHEMBL161598, Formylanisole, p-, Caswell No. 051E, CAS-123-11-5, CCRIS 821, p-Methoxybenzaldehyde (natural), HSDB 2641, EINECS 204-602-6, anisaldehyd, Anis aldehyde, UNII-9PA5V6656V, AI3-00223, FEMA 2670, 4-methoxybenzaldehye, 4-methoxybezaldehyde, EINECS 256-891-3, Anisaldehyde (para), 4-methoxylbenzaldehyde, Anisaldehyde, solution, p-Anisaldehyde, 8CI, 4-methoxybenzylaldehyde, BRN 0471382, p-Anisaldehyde, 98%, p-Anisaldehyde, Reagent, para-methoxy benzaldehyde, benzaldehyde, p-methoxy-, 4-(methyloxy)benzaldehyde, bmse010130, WLN: VHR DO1, EC 204-602-6, SCHEMBL1099, SCHEMBL1100, P-ANISALDEHYDE [MI], 68894-36-0, MLS002152921, P-ANISALDEHYDE [HSDB], p-Methoxybenzylidenemalonitrile, 4-methoxybenzene carboxaldehyde, orb1299391, orb3140073, SCHEMBL1205513, SCHEMBL1206990, SCHEMBL7289096, PARA- METHOXYBENZALDEHYDE, P-ANISALDEHYDE [USP-RS], HY-Y0740R, 4-Methoxybenzaldehyde (Standard), NSC5590, HMS3039F08, HMS5084L03, p-Anisaldehyde, analytical standard, P-METHOXYBENZALDEHYDE [FCC], HY-Y0740, PXB44155, p-Anisaldehyde, natural, 98%, FG, P-METHOXYBENZALDEHYDE [FHFI], Tox21_201943, Tox21_303331, AC7808, BDBM50139370, EBC-03105, MSK014067, s5086, SBB040224, STL194068, AKOS000118814, CCG-214805, CS-W020189, FM05674, MSK014067-100B, p-Anisaldehyde, for synthesis, 98.0%, NCGC00090807-01, NCGC00090807-02, NCGC00257076-01, NCGC00259492-01, p-Anisaldehyde, >=97.5%, FCC, FG, AC-10379, BP-14175, CS-11005, SMR001224521, SY001689, DB-012818, A0480, A1674, BENZALDEHYDE,4-METHOXY  MFC8 H8 O2, NS00003331, ST50213373, EN300-16096, Anisic aldehyde Solution in Acetone, 100ug/mL, 4-08-00-00252 (Beilstein Handbook Reference), F079445, Q174937, doi:10.14272/ZRSNZINYAWTAHE-UHFFFAOYSA-N.1, doi:10.14272/ZRSNZINYAWTAHE-UHFFFAOYSA-N.2, MEPYRAMINE MALEATE IMPURITY P [EP IMPURITY], Z53833125, F2190-0575, Ozagrel Impurity 23; Mepyramine Maleate EP Impurity B, p-Anisaldehyde, primary pharmaceutical reference standard, p-Anisaldehyde, certified reference material, TraceCERT(R), p-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard, InChI=1/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H
Theoretical properties:
molecular_formula: C8H8O2
molecular_weight: 136.15 g/mol
exact_mass: 136.052429494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 10
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Oily liquid
color: Oily liquid
odor: Hawthorn odor
boiling_point: 255 °C
melting_point: 0 °C
density: 1.1191 g/cu cm at 15 °C
solubility: In water, 4.29X10+3 mg/L at 25 °C
flash_point: 116 °C (241 °F) - closed cup
vapor_pressure: 0.03 [mmHg]
Descriptions:
pubchem: P-methoxybenzaldehyde is a member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. It has a role as an insect repellent, a plant metabolite, a bacterial metabolite and a human urinary metabolite.
chebi: A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.
chembl: ANISALDEHYDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-Hydroxy-4-methoxybenzaldehyde is a chemical compound and an isomer of vanillin.  Urolithin M7, one of the urolithins, has also been synthesized from 2-hydroxy-4-methoxybenzaldehyde using the inverse electron-demand Diels–Alder reaction.