4-ethyl-4-phenylcyclohexan-1-one

C14H18O — CID 71029419

IUPAC4-ethyl-4-phenylcyclohexan-1-one
SMILESCCC1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C14H18O/c1-2-14(10-8-13(15)9-11-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyVTFMPBWZLAVYGG-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.48
Rot. Bonds2

About 4-ethyl-4-phenylcyclohexan-1-one

4-ethyl-4-phenylcyclohexan-1-one (PubChem CID 71029419) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-ethyl-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-4-phenylcyclohexan-1-one
PubChem CID71029419
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-ethyl-4-phenylcyclohexan-1-one
SMILESCCC1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C14H18O/c1-2-14(10-8-13(15)9-11-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyVTFMPBWZLAVYGG-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

3-ethyl-3-phenylcyclohexan-1-one
CID 135001178
ethene;3-(4-oxo-1-phenylcyclohexyl)propanenitrile
CID 68860940
ethane;4-hydroxy-4-phenylcyclohexan-1-one
CID 91155635
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
4-ethyl-4-phenylpiperidine;formamide
CID 143792302
4-ethyl-4-phenylpyrrolidin-2-one
CID 66107809
2-amino-4-butyl-4-phenylcyclohexan-1-one
CID 68697022
ethyl 3-(4-oxo-1-phenylcyclohexyl)prop-2-enoate
CID 54379708
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
CID 113090928
(1-butylcyclobutyl)benzene
CID 57200184
1-amino-3-ethyl-3-phenylpiperidine-2,6-dione
CID 13052894
(3R)-3-hexyl-4,4-diphenylcyclohexan-1-one
CID 57336731

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-phenylcyclohexan-1-one?
The IUPAC name of 4-ethyl-4-phenylcyclohexan-1-one (CID 71029419) is 4-ethyl-4-phenylcyclohexan-1-one.
What is the SMILES notation for 4-ethyl-4-phenylcyclohexan-1-one?
The canonical SMILES for 4-ethyl-4-phenylcyclohexan-1-one is CCC1(c2ccccc2)CCC(=O)CC1.
What is the InChIKey of 4-ethyl-4-phenylcyclohexan-1-one?
The InChIKey is VTFMPBWZLAVYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-14(10-8-13(15)9-11-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of 4-ethyl-4-phenylcyclohexan-1-one?
4-ethyl-4-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 4-ethyl-4-phenylcyclohexan-1-one is sourced from PubChem (CID 71029419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).