2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone

C15H18O — CID 116659602

IUPAC2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2=CCCCC2)cc1
InChIInChI=1S/C15H18O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11H2,1H3
InChIKeyKHOPSEIBKQJPPX-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.07
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone

2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone (PubChem CID 116659602) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
PubChem CID116659602
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2=CCCCC2)cc1
InChIInChI=1S/C15H18O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11H2,1H3
InChIKeyKHOPSEIBKQJPPX-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone 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

2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone
CID 116659694
1-(3-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)ethanone
CID 107559942
2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116659845
2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518972
2-(cyclohexen-1-yl)-1-(2-methylquinolin-6-yl)ethanone
CID 116659682
2-(cyclohexen-1-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116659700
2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone
CID 116659787
2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone
CID 130917901
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
CID 82100138
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone (CID 116659602) is 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CC2=CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is KHOPSEIBKQJPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone?
2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 214.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 116659602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).