5-butyl-2-(4-propylphenyl)cyclohexan-1-one

C19H28O — CID 23041151

IUPAC5-butyl-2-(4-propylphenyl)cyclohexan-1-one
SMILESCCCCC1CCC(c2ccc(CCC)cc2)C(=O)C1
InChIInChI=1S/C19H28O/c1-3-5-7-16-10-13-18(19(20)14-16)17-11-8-15(6-4-2)9-12-17/h8-9,11-12,16,18H,3-7,10,13-14H2,1-2H3
InChIKeyHGIKACYPIRLASN-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.28
Rot. Bonds6

About 5-butyl-2-(4-propylphenyl)cyclohexan-1-one

5-butyl-2-(4-propylphenyl)cyclohexan-1-one (PubChem CID 23041151) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 5-butyl-2-(4-propylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name5-butyl-2-(4-propylphenyl)cyclohexan-1-one
PubChem CID23041151
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name5-butyl-2-(4-propylphenyl)cyclohexan-1-one
SMILESCCCCC1CCC(c2ccc(CCC)cc2)C(=O)C1
InChIInChI=1S/C19H28O/c1-3-5-7-16-10-13-18(19(20)14-16)17-11-8-15(6-4-2)9-12-17/h8-9,11-12,16,18H,3-7,10,13-14H2,1-2H3
InChIKeyHGIKACYPIRLASN-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-butyl-2-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one
CID 23041099
2-[4-(4-pentylphenyl)phenyl]-5-propylcyclohexan-1-one
CID 23041434
trans-(2R,5S)-2-[4-(4-heptylphenyl)phenyl]-5-propylcyclohexan-1-one
CID 70371365
4-[(1R,4S)-4-butyl-2-oxocyclohexyl]benzonitrile
CID 70371218
5-methyl-2-(4-propylphenyl)cyclohexan-1-one
CID 23041135
trans-(2R,5S)-5-ethyl-2-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one
CID 70371296
5-ethyl-2-[4-(4-heptylphenyl)phenyl]cyclohexan-1-one
CID 23041252
trans-(2S,5R)-2-(4-butoxyphenyl)-5-pentylcyclohexan-1-one
CID 54311381
5-methyl-2-(4-pentylphenyl)cyclohexan-1-one
CID 23041298
trans-(2R,5S)-5-butyl-2-[4-(4-propoxyphenyl)phenyl]cyclohexan-1-one
CID 70371362
trans-(2R,5S)-5-butyl-2-[4-(4-heptoxyphenyl)phenyl]cyclohexan-1-one
CID 70371409
trans-(2R,5S)-2-[4-(4-pentoxyphenyl)phenyl]-5-propylcyclohexan-1-one
CID 70371425

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-propylphenyl)cyclohexan-1-one?
The IUPAC name of 5-butyl-2-(4-propylphenyl)cyclohexan-1-one (CID 23041151) is 5-butyl-2-(4-propylphenyl)cyclohexan-1-one.
What is the SMILES notation for 5-butyl-2-(4-propylphenyl)cyclohexan-1-one?
The canonical SMILES for 5-butyl-2-(4-propylphenyl)cyclohexan-1-one is CCCCC1CCC(c2ccc(CCC)cc2)C(=O)C1.
What is the InChIKey of 5-butyl-2-(4-propylphenyl)cyclohexan-1-one?
The InChIKey is HGIKACYPIRLASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-3-5-7-16-10-13-18(19(20)14-16)17-11-8-15(6-4-2)9-12-17/h8-9,11-12,16,18H,3-7,10,13-14H2,1-2H3.
What are the key properties of 5-butyl-2-(4-propylphenyl)cyclohexan-1-one?
5-butyl-2-(4-propylphenyl)cyclohexan-1-one has a molecular weight of 272.43 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-propylphenyl)cyclohexan-1-one is sourced from PubChem (CID 23041151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).