3-(1-methylcyclohexyl)-1-phenylpropan-1-one

C16H22O — CID 164668624

IUPAC3-(1-methylcyclohexyl)-1-phenylpropan-1-one
SMILESCC1(CCC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C16H22O/c1-16(11-6-3-7-12-16)13-10-15(17)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeyQVLOVEGHFDAFKN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.62
Rot. Bonds4

About 3-(1-methylcyclohexyl)-1-phenylpropan-1-one

3-(1-methylcyclohexyl)-1-phenylpropan-1-one (PubChem CID 164668624) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(1-methylcyclohexyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(1-methylcyclohexyl)-1-phenylpropan-1-one
PubChem CID164668624
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name3-(1-methylcyclohexyl)-1-phenylpropan-1-one
SMILESCC1(CCC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C16H22O/c1-16(11-6-3-7-12-16)13-10-15(17)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeyQVLOVEGHFDAFKN-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-(3-oxo-3-phenylpropyl)cyclopentane-1,3-dione
CID 24807565
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one
CID 102898916
1-phenylbutan-1-one
CID 10315
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
1-phenylbutan-1-one;hydrobromide
CID 139638507
4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one
CID 114950371
2-(1-methylthian-1-yl)-1-phenylethanone
CID 123306691
1,15-diphenylpentadecane-1,15-dione
CID 159981687

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclohexyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(1-methylcyclohexyl)-1-phenylpropan-1-one (CID 164668624) is 3-(1-methylcyclohexyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(1-methylcyclohexyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(1-methylcyclohexyl)-1-phenylpropan-1-one is CC1(CCC(=O)c2ccccc2)CCCCC1.
What is the InChIKey of 3-(1-methylcyclohexyl)-1-phenylpropan-1-one?
The InChIKey is QVLOVEGHFDAFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-16(11-6-3-7-12-16)13-10-15(17)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3.
What are the key properties of 3-(1-methylcyclohexyl)-1-phenylpropan-1-one?
3-(1-methylcyclohexyl)-1-phenylpropan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclohexyl)-1-phenylpropan-1-one is sourced from PubChem (CID 164668624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).