3-Benzyloxy-4-methoxybenzoic acid

C₁₅H₁₄O₄CAS 58452-00-9258.27 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₅H₁₄O₄
Molar mass: 258.27 g/mol
Exact mass: 258.0892 Da
Melting point: 108 °C
logP: 2.97Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

58452-00-9

SMILES

COc1ccc(C(=O)O)cc1OCc1ccccc1

InChIKey

YPDXIGBSOBESNI-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O4/c1-18-13-8-7-12(15(16)17)9-14(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Benzoic acid, 4-methoxy-3-(phenylmethoxy)-
Benzoic acid, 3-(benzyloxy)-4-methoxy-
4-Methoxy-3-(phenylmethoxy)benzoic acid

Work with 3-Benzyloxy-4-methoxybenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Veratric acid93-07-267 % similar 2-Bromo-4-methoxy-5-(phenylmethoxy)benzoic acid24958-42-763 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-663 % similar 4-(Benzyloxy)benzoic acid1486-51-758 % similar 3,5-Bis(phenylmethoxy)benzoic acid28917-43-357 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-156 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-055 % similar 4-Benzyloxy-3,5-dimethylbenzoic acid97888-80-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3′,4′-Dimethoxy[1,1′-biphenyl]-4-carboxylic acid122294-10-4 4-(Benzyloxy)-3-methoxybenzoic acid1486-53-9 Isorhapontigenin32507-66-7 Menbutone3562-99-0 2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-1 Yangonin500-62-9 Rhapontigenin500-65-2 Vitamin K4573-20-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook