4-(4-methoxyphenyl)cyclohexan-1-one

C13H16O2 — CID 10976581

IUPAC4-(4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc(C2CCC(=O)CC2)cc1
InChIInChI=1S/C13H16O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyZMMQLFXRGHSTSW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.92
Rot. Bonds2

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

4-(4-methoxyphenyl)cyclohexan-1-one (PubChem CID 10976581) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)cyclohexan-1-one
PubChem CID10976581
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-(4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc(C2CCC(=O)CC2)cc1
InChIInChI=1S/C13H16O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyZMMQLFXRGHSTSW-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-methoxyphenyl)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

Nabumetone
CID 4409
Avobenzone
CID 51040
4'-Methoxyacetophenone
CID 7476
Anisylacetone
CID 61007
4-(p-ACETOXYPHENYL)-2-BUTANONE
CID 19137
4'-Methoxychalcone
CID 641818
4-Methoxybiphenyl
CID 11943
1-(p-Methoxyphenyl)-2-propanone
CID 31231
p-Cresyl octanoate
CID 43046
p-CRESYL PHENYLACETATE
CID 60997
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
4-Methoxyphenylacetic Acid
CID 7690

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)cyclohexan-1-one?
The IUPAC name of 4-(4-methoxyphenyl)cyclohexan-1-one (CID 10976581) is 4-(4-methoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-methoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-methoxyphenyl)cyclohexan-1-one is COc1ccc(C2CCC(=O)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)cyclohexan-1-one?
The InChIKey is ZMMQLFXRGHSTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)cyclohexan-1-one?
4-(4-methoxyphenyl)cyclohexan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 10976581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).