Methyl trans-2-(4-chlorophenyl)-5-oxocyclohexanecarboxylate

HCID 68520286
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Basic information

Standard SMILES
COC(=O)[C@@H]1CC(=O)CC[C@H]1c1ccc(Cl)cc1
InChIKey
FBUXFVXRQYBWGP-QWHCGFSZSA-N
Molecular formula
C14H15ClO3
Average molar mass
266.72 g/mol

Names & identifiers

Preferred name
Methyl trans-2-(4-chlorophenyl)-5-oxocyclohexanecarboxylate
IUPAC
trans-methyl (1R,2R)-2-(4-chlorophenyl)-5-oxocyclohexane-1-carboxylate

Names & synonyms

SCHEMBL3123706FBUXFVXRQYBWGP-QWHCGFSZSA-Nmethyl trans-2-(4-chlorophenyl)-5-oxocyclohexanecarboxylatemethyl trans-2-(4 -chlorophenyl)-5-oxocyclohexanecarboxylate

Database identifiers

PubChem CID
68520286

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Related reactions

2 records
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Compound notes

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