2-(4-Methoxybenzoyl)benzoic acid

C₁₅H₁₂O₄CAS 1151-15-1256.26 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Ketone

Properties

Molecular formula: C₁₅H₁₂O₄
Molar mass: 256.26 g/mol
Exact mass: 256.0736 Da
Melting point: 146 °C
logP: 2.62Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers
H400 Very toxic to aquatic life25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1151-15-1

SMILES

COc1ccc(C(=O)c2ccccc2C(=O)O)cc1

InChIKey

UIUCGMLLTRXRBF-UHFFFAOYSA-N

InChI

InChI=1S/C15H12O4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)

Weigh it out

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

Names and synonyms

8 names

Benzoic acid, 2-(4-methoxybenzoyl)-
Benzoic acid, o-(p-anisoyl)-
o-(p-Anisoyl)benzoic acid
o-(4-Methoxybenzoyl)benzoic acid
S 23/46
4′-Methoxy-2-benzoylbenzoic acid
NSC 28925
2-(4-Methoxybenzoyl)benzenecarboxylic acid

Work with 2-(4-Methoxybenzoyl)benzoic 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

2-(4-Methylbenzoyl)benzoic acid85-55-266 % similar 2-Benzoylbenzoic acid85-52-966 % similar 2-(4-Hydroxybenzoyl)benzoic acid85-57-463 % similar p-Anisic acid100-09-463 % similar 2-Fluoro-4'-methoxybenzophenone66938-29-263 % similar 2-(4-Fluorobenzoyl)benzoic acid7649-92-562 % similar 2-(4-Chlorobenzoyl)benzoic acid85-56-362 % similar 4-Methoxybenzophenone611-94-961 % similar

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

Same formula

Monobenzyl phthalate2528-16-7 (+)-Pinocembrin480-39-7 Liquiritigenin578-86-9 Isoliquiritigenin961-29-5

Elsewhere

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