3'-Methoxy-biphenyl-4-carboxylic acid

C₁₄H₁₂O₃CAS 5783-36-8228.25 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

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

5783-36-8

SMILES

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

InChIKey

OAMJQKDGQYAQKD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-(3-Methoxyphenyl)benzoic Acid

Work with 3'-Methoxy-biphenyl-4-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

4'-Methoxy-biphenyl-3-carboxylic acid725-05-374 % similar 4'-Methoxy(1,1'-biphenyl)-4-carboxylic acid725-14-471 % similar 3-Methoxybenzoic acid586-38-969 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-4-carboxylic acid122294-10-468 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxylic acid676348-31-563 % similar p-Anisic acid100-09-463 % similar 3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid1841-58-359 % similar 3'-Chloro-biphenyl-4-carboxylic acid5728-43-859 % 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 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-9 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook