1-cycloheptyl-2-(4-methylphenyl)ethanone

C16H22O — CID 62589073

IUPAC1-cycloheptyl-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CCCCCC2)cc1
InChIInChI=1S/C16H22O/c1-13-8-10-14(11-9-13)12-16(17)15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3
InChIKeyALJGSWUQWWXPKR-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.08
Rot. Bonds3

About 1-cycloheptyl-2-(4-methylphenyl)ethanone

1-cycloheptyl-2-(4-methylphenyl)ethanone (PubChem CID 62589073) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-cycloheptyl-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-cycloheptyl-2-(4-methylphenyl)ethanone
PubChem CID62589073
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-cycloheptyl-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CCCCCC2)cc1
InChIInChI=1S/C16H22O/c1-13-8-10-14(11-9-13)12-16(17)15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3
InChIKeyALJGSWUQWWXPKR-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
2-(4-butoxyphenyl)-1-cyclohexylethanone
CID 71053379
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
CID 65409141

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-cycloheptyl-2-(4-methylphenyl)ethanone (CID 62589073) is 1-cycloheptyl-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-cycloheptyl-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-cycloheptyl-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2CCCCCC2)cc1.
What is the InChIKey of 1-cycloheptyl-2-(4-methylphenyl)ethanone?
The InChIKey is ALJGSWUQWWXPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-13-8-10-14(11-9-13)12-16(17)15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3.
What are the key properties of 1-cycloheptyl-2-(4-methylphenyl)ethanone?
1-cycloheptyl-2-(4-methylphenyl)ethanone has a molecular weight of 230.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 62589073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).