3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one

C19H28O — CID 115481878

IUPAC3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)CCC2CCCCC2)cc1CC
InChIInChI=1S/C19H28O/c1-3-16-11-12-18(14-17(16)4-2)19(20)13-10-15-8-6-5-7-9-15/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyAGRYTPYFVWTUJV-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.35
Rot. Bonds6

About 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one

3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one (PubChem CID 115481878) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
PubChem CID115481878
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)CCC2CCCCC2)cc1CC
InChIInChI=1S/C19H28O/c1-3-16-11-12-18(14-17(16)4-2)19(20)13-10-15-8-6-5-7-9-15/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyAGRYTPYFVWTUJV-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
CID 113319049
1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one
CID 146008352
3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
3-cyclohexyl-1-(7-methylidene-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)propan-1-one
CID 145472183
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291308
3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975969
3-cyclohexyl-1-(furan-3-yl)propan-1-one
CID 114971693
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
1-(3-amino-4-methylphenyl)-4-cyclohexylbutan-1-one
CID 10491537
3-cyclohexyl-1-[4-(3-methylbutylsulfanyl)phenyl]propan-1-one
CID 94780175

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one (CID 115481878) is 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one is CCc1ccc(C(=O)CCC2CCCCC2)cc1CC.
What is the InChIKey of 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one?
The InChIKey is AGRYTPYFVWTUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-3-16-11-12-18(14-17(16)4-2)19(20)13-10-15-8-6-5-7-9-15/h11-12,14-15H,3-10,13H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one?
3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one has a molecular weight of 272.43 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one is sourced from PubChem (CID 115481878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).