1-cyclohexyl-3-(2-methylphenyl)propan-1-one

C16H22O — CID 24725660

IUPAC1-cyclohexyl-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)C1CCCCC1
InChIInChI=1S/C16H22O/c1-13-7-5-6-8-14(13)11-12-16(17)15-9-3-2-4-10-15/h5-8,15H,2-4,9-12H2,1H3
InChIKeyQTQMWLBLIXRJSW-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.08
Rot. Bonds4

About 1-cyclohexyl-3-(2-methylphenyl)propan-1-one

1-cyclohexyl-3-(2-methylphenyl)propan-1-one (PubChem CID 24725660) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methylphenyl)propan-1-one
PubChem CID24725660
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-cyclohexyl-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)C1CCCCC1
InChIInChI=1S/C16H22O/c1-13-7-5-6-8-14(13)11-12-16(17)15-9-3-2-4-10-15/h5-8,15H,2-4,9-12H2,1H3
InChIKeyQTQMWLBLIXRJSW-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
CID 24726267
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322
3-(2-methylphenyl)-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 105117697
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
1-cyclopentyl-3-(2-methyl-3-nitrophenyl)propan-1-one
CID 113390093
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863
1-cyclobutyl-4-(2-methylphenyl)butan-2-one
CID 105102936
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1-[2-(aminomethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639941
1-[2-(chloromethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639223

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-cyclohexyl-3-(2-methylphenyl)propan-1-one (CID 24725660) is 1-cyclohexyl-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-cyclohexyl-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-methylphenyl)propan-1-one?
The InChIKey is QTQMWLBLIXRJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-13-7-5-6-8-14(13)11-12-16(17)15-9-3-2-4-10-15/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 1-cyclohexyl-3-(2-methylphenyl)propan-1-one?
1-cyclohexyl-3-(2-methylphenyl)propan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 24725660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).