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

C15H18O — CID 62077966

IUPAC1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1=CCCCC1
InChIInChI=1S/C15H18O/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h5-8,10H,2-4,9,11H2,1H3
InChIKeyZGEFUQDIQFJLMC-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.61
Rot. Bonds3

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

1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 62077966) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID62077966
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1=CCCCC1
InChIInChI=1S/C15H18O/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h5-8,10H,2-4,9,11H2,1H3
InChIKeyZGEFUQDIQFJLMC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 103449970
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone
CID 103447987
1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 103451108
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone
CID 62080493
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450421
2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450386
2-[(2-methylphenyl)methyl]cyclohept-2-en-1-one
CID 18005526

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone (CID 62077966) is 1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is ZGEFUQDIQFJLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h5-8,10H,2-4,9,11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone?
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 214.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 62077966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).