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

C12H13ClO — CID 14617880

IUPAC4-(4-chlorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2
InChIKeyJNBOVWFOTNYTES-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.57
Rot. Bonds1

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

4-(4-chlorophenyl)cyclohexan-1-one (PubChem CID 14617880) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)cyclohexan-1-one
PubChem CID14617880
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name4-(4-chlorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2
InChIKeyJNBOVWFOTNYTES-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

Analyze 4-(4-chlorophenyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-3-fluorophenyl)cyclohexan-1-one
CID 134381360
4-(5-chloro-2-fluorophenyl)cyclohexan-1-one
CID 116963365
ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen
CID 142101023
4-[4-(3-chloropropoxy)phenyl]cyclohexan-1-one
CID 23150298
ethane;methanol;4-phenylcyclohexan-1-one
CID 91076562
2-[4-(4-oxocyclohexyl)phenyl]acetonitrile
CID 12945213
(6S)-6-(4-chlorophenyl)azepan-2-one
CID 97102781
1-chloro-4-(4-cyclobutylcyclohexyl)benzene
CID 70797476
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
4-(4-chlorophenoxy)cyclohexan-1-one
CID 58923771
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
(2E)-2-[3-(4-chlorophenyl)cyclopentylidene]acetic acid
CID 82291768

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)cyclohexan-1-one?
The IUPAC name of 4-(4-chlorophenyl)cyclohexan-1-one (CID 14617880) is 4-(4-chlorophenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)cyclohexan-1-one is O=C1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)cyclohexan-1-one?
The InChIKey is JNBOVWFOTNYTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2.
What are the key properties of 4-(4-chlorophenyl)cyclohexan-1-one?
4-(4-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-(4-chlorophenyl)cyclohexan-1-one is sourced from PubChem (CID 14617880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).