3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one

C17H24O — CID 64729150

IUPAC3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one
SMILESCC1CC(C)CC(CCC(=O)c2ccccc2)C1
InChIInChI=1S/C17H24O/c1-13-10-14(2)12-15(11-13)8-9-17(18)16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3
InChIKeyPRIMCIJQFQYEEQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.72
Rot. Bonds4

About 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one

3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one (PubChem CID 64729150) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one
PubChem CID64729150
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one
SMILESCC1CC(C)CC(CCC(=O)c2ccccc2)C1
InChIInChI=1S/C17H24O/c1-13-10-14(2)12-15(11-13)8-9-17(18)16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3
InChIKeyPRIMCIJQFQYEEQ-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
CID 2758705
2-(3-oxo-3-phenylpropyl)cyclopentane-1,3-dione
CID 101408905
3-(azepan-4-yl)-1-phenylpropan-1-one
CID 142133654
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
1-phenylbutan-1-one
CID 10315
3-(3-tert-butyloxiran-2-yl)-1-phenylpropan-1-one
CID 86227481
1-phenylbutan-1-one;hydrobromide
CID 139638507
4-oxo-4-phenylbutanoyl chloride
CID 10932389
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
3-cyclopropyl-1-(3-iodophenyl)propan-1-one
CID 114978242
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
1,15-diphenylpentadecane-1,15-dione
CID 159981687

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one (CID 64729150) is 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one is CC1CC(C)CC(CCC(=O)c2ccccc2)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one?
The InChIKey is PRIMCIJQFQYEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-13-10-14(2)12-15(11-13)8-9-17(18)16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one?
3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one is sourced from PubChem (CID 64729150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).