3-ethyl-3-phenylcyclohexan-1-one

C14H18O — CID 135001178

IUPAC3-ethyl-3-phenylcyclohexan-1-one
SMILESCCC1(c2ccccc2)CCCC(=O)C1
InChIInChI=1S/C14H18O/c1-2-14(10-6-9-13(15)11-14)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyNPHHMGQDHBXESU-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.48
Rot. Bonds2

About 3-ethyl-3-phenylcyclohexan-1-one

3-ethyl-3-phenylcyclohexan-1-one (PubChem CID 135001178) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-ethyl-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Name3-ethyl-3-phenylcyclohexan-1-one
PubChem CID135001178
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-ethyl-3-phenylcyclohexan-1-one
SMILESCCC1(c2ccccc2)CCCC(=O)C1
InChIInChI=1S/C14H18O/c1-2-14(10-6-9-13(15)11-14)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyNPHHMGQDHBXESU-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzophenone
CID 3102
Lilial
CID 228987
Benzyl acetone
CID 17355
Phenylacetone
CID 7678
Diphenylcyclopropenone
CID 65057
Cyclohexyl phenyl ketone
CID 12837
1,3-Diphenyl-2-propanone
CID 7593
4-Methyl-1-phenyl-2-pentanone
CID 219672
Bourgeonal
CID 64832
2-Tetralone
CID 68266
2-Phenylacetophenone
CID 9948
4-(p-Tolyl)-2-butanone
CID 5463908

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phenylcyclohexan-1-one?
The IUPAC name of 3-ethyl-3-phenylcyclohexan-1-one (CID 135001178) is 3-ethyl-3-phenylcyclohexan-1-one.
What is the SMILES notation for 3-ethyl-3-phenylcyclohexan-1-one?
The canonical SMILES for 3-ethyl-3-phenylcyclohexan-1-one is CCC1(c2ccccc2)CCCC(=O)C1.
What is the InChIKey of 3-ethyl-3-phenylcyclohexan-1-one?
The InChIKey is NPHHMGQDHBXESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-14(10-6-9-13(15)11-14)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3.
What are the key properties of 3-ethyl-3-phenylcyclohexan-1-one?
3-ethyl-3-phenylcyclohexan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-phenylcyclohexan-1-one is sourced from PubChem (CID 135001178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).