4-(4-phenylbutyl)cyclohexan-1-one

C16H22O — CID 147953036

IUPAC4-(4-phenylbutyl)cyclohexan-1-one
SMILESO=C1CCC(CCCCc2ccccc2)CC1
InChIInChI=1S/C16H22O/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyINZLOQPPJPPYPO-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.16
Rot. Bonds5

About 4-(4-phenylbutyl)cyclohexan-1-one

4-(4-phenylbutyl)cyclohexan-1-one (PubChem CID 147953036) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(4-phenylbutyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-phenylbutyl)cyclohexan-1-one
PubChem CID147953036
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-(4-phenylbutyl)cyclohexan-1-one
SMILESO=C1CCC(CCCCc2ccccc2)CC1
InChIInChI=1S/C16H22O/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyINZLOQPPJPPYPO-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
4-cyclopropylbutylbenzene
CID 10261592
5-cyclopropylpentylbenzene
CID 91089836
4-(3-phenylpropylamino)cyclohexan-1-one
CID 15290860
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 115240273
4-benzylcycloheptan-1-one
CID 57223081
4-phenylbutylbenzene
CID 141301927
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
4-decylcyclohexan-1-one
CID 13479948
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbutyl)cyclohexan-1-one?
The IUPAC name of 4-(4-phenylbutyl)cyclohexan-1-one (CID 147953036) is 4-(4-phenylbutyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-phenylbutyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-phenylbutyl)cyclohexan-1-one is O=C1CCC(CCCCc2ccccc2)CC1.
What is the InChIKey of 4-(4-phenylbutyl)cyclohexan-1-one?
The InChIKey is INZLOQPPJPPYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2.
What are the key properties of 4-(4-phenylbutyl)cyclohexan-1-one?
4-(4-phenylbutyl)cyclohexan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbutyl)cyclohexan-1-one is sourced from PubChem (CID 147953036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).