4-(2-chlorophenyl)cyclohexan-1-one

C12H13ClO — CID 19705258

IUPAC4-(2-chlorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C12H13ClO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-4,9H,5-8H2
InChIKeyGDYQZEPMJGRCRI-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.57
Rot. Bonds1

About 4-(2-chlorophenyl)cyclohexan-1-one

4-(2-chlorophenyl)cyclohexan-1-one (PubChem CID 19705258) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 4-(2-chlorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)cyclohexan-1-one
PubChem CID19705258
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name4-(2-chlorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C12H13ClO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-4,9H,5-8H2
InChIKeyGDYQZEPMJGRCRI-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)cyclohexan-1-one?
The IUPAC name of 4-(2-chlorophenyl)cyclohexan-1-one (CID 19705258) is 4-(2-chlorophenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-chlorophenyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-chlorophenyl)cyclohexan-1-one is O=C1CCC(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)cyclohexan-1-one?
The InChIKey is GDYQZEPMJGRCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-4,9H,5-8H2.
What are the key properties of 4-(2-chlorophenyl)cyclohexan-1-one?
4-(2-chlorophenyl)cyclohexan-1-one has a molecular weight of 208.69 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)cyclohexan-1-one is sourced from PubChem (CID 19705258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).