chempirical

3'-Methoxy-biphenyl-4-carboxylic acid

C14H12O3CAS 5783-36-8228.25 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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)

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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

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