Methyl 4-(4-oxocyclohexyl)benzoate

HCID 15023908

Notes Reactions

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Basic information

Standard SMILES: COC(=O)c1ccc(C2CCC(=O)CC2)cc1
InChIKey: KIEGVTHKDIIVTL-UHFFFAOYSA-N
Molecular formula: C14H16O3
Average molar mass: 232.27 g/mol

Names & identifiers

Preferred name: Methyl 4-(4-oxocyclohexyl)benzoate
IUPAC: methyl 4-(4-oxocyclohexyl)benzoate

Names & synonyms

methyl 4-(4-oxocyclohexyl)benzoate137464-98-3SCHEMBL614371KIEGVTHKDIIVTL-UHFFFAOYSA-N4-(4'-Carbomethoxyphenyl)cyclohexanoneDA-110224-(4-oxo-cyclohexyl)-benzoic acid methyl ester

Database identifiers

PubChem CID: 15023908

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 280

Related reactions

5 records

New reaction record

HRID 827013As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1443421As productuspto-grants-2010_02

HRID 1461792As reactantuspto-grants-1991_12

HRID 1893233As reactantuspto-grants-2013_08

HRID 2349979As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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