4-(2-phenylethyl)cyclohexan-1-one

C14H18O — CID 18980498

IUPAC4-(2-phenylethyl)cyclohexan-1-one
SMILESO=C1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C14H18O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyIIPLJCLFQPJATL-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.38
Rot. Bonds3

About 4-(2-phenylethyl)cyclohexan-1-one

4-(2-phenylethyl)cyclohexan-1-one (PubChem CID 18980498) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(2-phenylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-phenylethyl)cyclohexan-1-one
PubChem CID18980498
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-(2-phenylethyl)cyclohexan-1-one
SMILESO=C1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C14H18O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyIIPLJCLFQPJATL-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-phenylbutyl)cyclohexan-1-one
CID 147953036
2-phenylethylcyclooctane
CID 54073487
4-[2-(4-oxocyclohexyl)ethyl]benzonitrile
CID 19739318
4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 115240273
4-benzylcycloheptan-1-one
CID 57223081
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
CID 160501758
CID 160501758
3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione
CID 170325130
4-(3-phenylpropylamino)cyclohexan-1-one
CID 15290860
1,4-bis(2-phenylethyl)piperidine
CID 86059939
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)cyclohexan-1-one?
The IUPAC name of 4-(2-phenylethyl)cyclohexan-1-one (CID 18980498) is 4-(2-phenylethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-phenylethyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-phenylethyl)cyclohexan-1-one is O=C1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenylethyl)cyclohexan-1-one?
The InChIKey is IIPLJCLFQPJATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 4-(2-phenylethyl)cyclohexan-1-one?
4-(2-phenylethyl)cyclohexan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)cyclohexan-1-one is sourced from PubChem (CID 18980498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).