3'-Methoxy-biphenyl-3-carboxylic acid

C₁₄H₁₂O₃CAS 168618-45-9228.25 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₄H₁₂O₃
Molar mass: 228.25 g/mol
Exact mass: 228.0786 Da
logP: 3.06Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

168618-45-9

SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O

InChIKey

JFPVSZXZHHOWMI-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O3/c1-17-13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16)

Weigh it out

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Work with 3'-Methoxy-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

3-Methoxybenzoic acid586-38-982 % similar 3'-Methoxy-biphenyl-4-carboxylic acid5783-36-881 % similar 4'-Methoxy-biphenyl-3-carboxylic acid725-05-381 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxylic acid676348-31-574 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-763 % similar 3'-Methyl-biphenyl-3-carboxylic acid158619-46-661 % similar 3,3'-Dimethoxybiphenyl6161-50-859 % similar 4'-Methylbiphenyl-3-carboxylic acid147404-69-159 % similar

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

Same formula

Benzyl salicylate118-58-1 Oxybenzone131-57-7 2-(4-Phenylphenoxy)acetic acid13333-86-3 2-(Benzyloxy)benzoic acid14389-86-7 4-(Benzyloxy)benzoic acid1486-51-7 Desmethoxyyangonin15345-89-8 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1 2-Phenoxyphenylacetic acid25563-02-4

Elsewhere

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