6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one

C18H24O2 — CID 54046246

IUPAC6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one
SMILESCCCCC1CCC(c2ccc(OCC)cc2)=CC1=O
InChIInChI=1S/C18H24O2/c1-3-5-6-15-7-8-16(13-18(15)19)14-9-11-17(12-10-14)20-4-2/h9-13,15H,3-8H2,1-2H3
InChIKeyLPTZZHHACIAZLI-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.64
Rot. Bonds6

About 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one

6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one (PubChem CID 54046246) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one
PubChem CID54046246
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one
SMILESCCCCC1CCC(c2ccc(OCC)cc2)=CC1=O
InChIInChI=1S/C18H24O2/c1-3-5-6-15-7-8-16(13-18(15)19)14-9-11-17(12-10-14)20-4-2/h9-13,15H,3-8H2,1-2H3
InChIKeyLPTZZHHACIAZLI-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one?
The IUPAC name of 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one (CID 54046246) is 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one is CCCCC1CCC(c2ccc(OCC)cc2)=CC1=O.
What is the InChIKey of 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one?
The InChIKey is LPTZZHHACIAZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-5-6-15-7-8-16(13-18(15)19)14-9-11-17(12-10-14)20-4-2/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one?
6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 54046246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).