3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxylic acid

C₁₅H₁₄O₄CAS 676348-31-5258.27 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
logP: 3.07Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

676348-31-5

SMILES

COc1ccc(-c2cccc(C(=O)O)c2)cc1OC

InChIKey

ZDBOLXDKLAYRRK-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O4/c1-18-13-7-6-11(9-14(13)19-2)10-4-3-5-12(8-10)15(16)17/h3-9H,1-2H3,(H,16,17)

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Names and synonyms

3 names

[1,1′-Biphenyl]-3-carboxylic acid, 3′,4′-dimethoxy-
3′,4′-Dimethoxy-[1,1′-biphenyl]-3-carboxylic acid
3′,4′-Dimethoxybiphenyl-3-carboxylic acid

Work with 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxylic 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 acid93-07-269 % similar 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-168 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-759 % similar 3-Methoxybenzoic acid586-38-959 % similar 3-Chloro-4-methoxybenzoic acid37908-96-659 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-157 % similar 4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-356 % similar 3-Amino-4-methoxybenzoic acid2840-26-856 % 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

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