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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

4 names

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

3-Ethoxy-4-methoxybenzoic acid2651-55-067 % similar 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 4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid60547-92-457 % similar 3,5-Bis(phenylmethoxy)benzoic acid28917-43-357 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-156 % 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 Murrayone19668-69-0 Isorhapontigenin32507-66-7 Menbutone3562-99-0 (4-(Phenylmethoxy)phenoxy)acetic acid38559-92-1 2,4-Dimethoxy-4'-hydroxybenzophenone41351-30-8 Yangonin500-62-9

Elsewhere

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