1-cyclohexyl-3,3-diphenylpropan-1-one

C21H24O — CID 132557223

IUPAC1-cyclohexyl-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H24O/c22-21(19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2
InChIKeyYVPIMNDRMCCVGE-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.36
Rot. Bonds5

About 1-cyclohexyl-3,3-diphenylpropan-1-one

1-cyclohexyl-3,3-diphenylpropan-1-one (PubChem CID 132557223) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3,3-diphenylpropan-1-one
PubChem CID132557223
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name1-cyclohexyl-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H24O/c22-21(19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2
InChIKeyYVPIMNDRMCCVGE-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzophenone
CID 3102
Benzyl acetone
CID 17355
Diphenylcyclopropenone
CID 65057
Cyclohexyl phenyl ketone
CID 12837
1,3-Diphenyl-2-propanone
CID 7593
4-Methyl-1-phenyl-2-pentanone
CID 219672
2-Tetralone
CID 68266
2-Phenylacetophenone
CID 9948
4-Benzoylbiphenyl
CID 75040
Dihydrochalcone
CID 64802
(+)-Turmerone
CID 160512
2,6-Dibenzylidenecyclohexanone
CID 1550330

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-diphenylpropan-1-one?
The IUPAC name of 1-cyclohexyl-3,3-diphenylpropan-1-one (CID 132557223) is 1-cyclohexyl-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-cyclohexyl-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-cyclohexyl-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,3-diphenylpropan-1-one?
The InChIKey is YVPIMNDRMCCVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c22-21(19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2.
What are the key properties of 1-cyclohexyl-3,3-diphenylpropan-1-one?
1-cyclohexyl-3,3-diphenylpropan-1-one has a molecular weight of 292.42 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-diphenylpropan-1-one is sourced from PubChem (CID 132557223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).