Compound: 3-Hydroxy-4-methoxybenzaldehyde
SMILES: O=Cc1cc(O)c(OC)cc1
InChIKey: JVTZFYYHCGSXJV-UHFFFAOYSA-N
Synonyms: 3-Hydroxy-4-methoxybenzaldehyde, ISOVANILLIN, 621-59-0, Isovanilline, 5-Formylguaiacol, 3-Hydroxy-p-anisaldehyde, Benzaldehyde, 3-hydroxy-4-methoxy-, iso-Vanillin, 4A9N90H9X6, NSC-82996, RefChem:792444, 210-694-9, 3-Hydroxy-4-methoxy-benzaldehyde, Isovanicaline, 3-Hydroxyanisaldehyde, p-Anisaldehyde, 3-hydroxy-, 3-hydroxy-4-anisaldehyde, 4-Methoxy-3-hydroxybenzaldehyde, Oxy-3 methoxy-4 benzaldehyde, MFCD00003369, 3-hydroxy-4-methoxy benzaldehyde, 5-formyl-2-methoxyphenol, 3-Hydroxy-para-anisaldehyde, CHEMBL275563, isovanilin, DTXSID7049423, 3-Hydroxy-4-methoxybenzaldehyde-d3, Oxy-3 methoxy-4 benzaldehyde [French], EINECS 210-694-9, NSC 82996, BRN 1073021, isovaniline, UNII-4A9N90H9X6, m-hydroxy-p-methoxybenzaldehyde, Entacapone Impurity 79, ISOVANILLIC ALDEHYDE, WLN: VHR CQ DO1, 3-OH-4-MeO benzaldehyde, Isovanillin, >=95.0%, NCIOpen2_001085, SCHEMBL70256, 4-08-00-01764 (Beilstein Handbook Reference), MLS000574853, SCHEMBL910063, 3-hydroxy4-methoxybenzaldehyde, orb1303819, 3-hydroxy-4methoxy-benzaldehyde, 4-methoxy-5-hydroxybenzaldehyde, DTXCID6029383, m-hydroxy-p-methoxy benzaldehyde, SCHEMBL29396443, 4-Methoxy-3-hydroxy-benzaldehyde, 3-hydroxy-4-methoxyl benzaldehyde, CHEBI:193161, 3-hydroxy-4-methoxy- benzaldehyde, HMS2194I16, HMS3348H19, HY-I0637, NSC82996, Tox21_202858, AC-541, BBL023550, BDBM50240367, s4943, SBB008245, STK400134, AKOS000120260, 3-Hydroxy-4-methoxybenzaldehyde, 99%, CCG-266226, CS-W009023, EBC-151039, FI15226, PS-4589, NCGC00247609-01, NCGC00260404-01, CAS-621-59-0, SMR000156287, SY001500, DB-010058, H0263, I0519, NS00022524, ST50213460, EN300-20433, 3-Hydroxy-4-methoxybenzaldehyde (NIST) negative, 3-Hydroxy-4-methoxybenzaldehyde (NIST) positive, F011790, Q412986, F1995-0251, Z104478184, InChI=1/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H
Theoretical properties:
molecular_formula: C8H8O3
molecular_weight: 152.15 g/mol
exact_mass: 152.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 11
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "Isovanillin is a member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. It has a role as a HIV protease inhibitor, an antifungal agent, an antidiarrhoeal drug, an EC 1.2.3.1 (aldehyde oxidase) inhibitor, an animal metabolite and a plant metabolite. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenols.", "chebi": "A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase.", "chembl": "ISOVANILLIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.", "wikipedia": "Vanillin is an organic compound with the molecular formula C8H8O3.  It is a phenolic aldehyde.  Its functional groups include aldehyde, hydroxyl, and ether.  It is the primary component of the ethanolic extract of the vanilla bean.  Synthetic vanillin is now used more often than natural vanilla extract as a flavoring in foods, beverages, and pharmaceuticals.\nVanillin and ethylvanillin are used by the food industry;  ethylvanillin is more expensive, but has a stronger note. It differs from vanillin by having an ethoxy group (\u2212O\u2212CH2CH3) instead of a methoxy group (\u2212O\u2212CH3).\nNatural vanilla extract is a mixture of several hundred different compounds in addition to vanillin.  Artificial vanilla flavoring is often an ethanol solution of pure vanillin, usually of synthetic origin. Because of the scarcity and expense of natural vanilla,  synthetic preparation of artificial vanilla flavoring has long been of interest.  The first commercial synthesis of vanillin began with the more readily available natural compound eugenol (4-allyl-2-methoxyphenol).  Today, artificial vanillin is made either from guaiacol or lignin.\nLignin-based artificial vanilla flavoring is alleged to have a richer flavor profile than that from guaiacol-based artificial vanilla; the difference is due to the presence of acetovanillone, a minor component in the lignin-derived product that is not found in vanillin synthesized from guaiacol."}