4-cyclohexyl-1-(4-methylphenyl)butan-1-one

C17H24O — CID 10514463

IUPAC4-cyclohexyl-1-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C17H24O/c1-14-10-12-16(13-11-14)17(18)9-5-8-15-6-3-2-4-7-15/h10-13,15H,2-9H2,1H3
InChIKeyMPQOCKALDALYJP-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.93
Rot. Bonds5

About 4-cyclohexyl-1-(4-methylphenyl)butan-1-one

4-cyclohexyl-1-(4-methylphenyl)butan-1-one (PubChem CID 10514463) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-cyclohexyl-1-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-(4-methylphenyl)butan-1-one
PubChem CID10514463
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name4-cyclohexyl-1-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C17H24O/c1-14-10-12-16(13-11-14)17(18)9-5-8-15-6-3-2-4-7-15/h10-13,15H,2-9H2,1H3
InChIKeyMPQOCKALDALYJP-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-amino-4-methylphenyl)-4-cyclohexylbutan-1-one
CID 10491537
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575
1-(2-chloro-4-pyridinyl)-4-cyclohexylbutan-1-one
CID 24723729
cis-(2R,5S)-2,5-bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one
CID 101164261
N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
CID 9275952
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163
3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613172
3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
CID 115481878
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(4-methylphenyl)butan-1-one?
The IUPAC name of 4-cyclohexyl-1-(4-methylphenyl)butan-1-one (CID 10514463) is 4-cyclohexyl-1-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-(4-methylphenyl)butan-1-one?
The canonical SMILES for 4-cyclohexyl-1-(4-methylphenyl)butan-1-one is Cc1ccc(C(=O)CCCC2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-1-(4-methylphenyl)butan-1-one?
The InChIKey is MPQOCKALDALYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-14-10-12-16(13-11-14)17(18)9-5-8-15-6-3-2-4-7-15/h10-13,15H,2-9H2,1H3.
What are the key properties of 4-cyclohexyl-1-(4-methylphenyl)butan-1-one?
4-cyclohexyl-1-(4-methylphenyl)butan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 10514463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).