4-acetyl-6-methoxycyclohex-2-en-1-one

C9H12O3 — CID 123307835

IUPAC4-acetyl-6-methoxycyclohex-2-en-1-one
SMILESCOC1CC(C(C)=O)C=CC1=O
InChIInChI=1S/C9H12O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-4,7,9H,5H2,1-2H3
InChIKeyLGNGAZAALIKOHC-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.74
Rot. Bonds2

About 4-acetyl-6-methoxycyclohex-2-en-1-one

4-acetyl-6-methoxycyclohex-2-en-1-one (PubChem CID 123307835) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-acetyl-6-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4-acetyl-6-methoxycyclohex-2-en-1-one
PubChem CID123307835
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name4-acetyl-6-methoxycyclohex-2-en-1-one
SMILESCOC1CC(C(C)=O)C=CC1=O
InChIInChI=1S/C9H12O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-4,7,9H,5H2,1-2H3
InChIKeyLGNGAZAALIKOHC-UHFFFAOYSA-N
XLogP0.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-6-methoxycyclohex-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

Related Compounds

Arthropsadiol D
CID 170988451
Arthropsadiol A
CID 139584408
(4R,5R,6R)-6-hydroxy-5-[(1R)-1-hydroxy-2-oxopropyl]-4-[(E)-prop-1-enyl]cyclohex-2-en-1-one
CID 163037067
(4R,5R,6S)-6-hydroxy-5-[(1R)-1-hydroxy-2-oxopropyl]-4-[(E)-prop-1-enyl]cyclohex-2-en-1-one
CID 163193519
6-Methoxy-4-prop-2-enylcyclohex-2-en-1-one
CID 54415987
9-Ethoxybicyclo[3.2.2]nona-3,6-dien-2-one
CID 14714284
(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one
CID 15747722
(4S,5S,6S)-6-hydroxy-5-(1-hydroxy-2-oxopropyl)-4-[(E)-prop-1-enyl]cyclohex-2-en-1-one
CID 163037066
5-Methoxy-4-oxocyclohex-2-ene-1-carbaldehyde
CID 91342175
3-(5-Methoxy-4-oxocyclohex-2-en-1-yl)prop-2-enal
CID 91512857
6-Methoxy-5-methylcyclohex-2-en-1-one
CID 123762561
6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one
CID 123923796

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-methoxycyclohex-2-en-1-one?
The IUPAC name of 4-acetyl-6-methoxycyclohex-2-en-1-one (CID 123307835) is 4-acetyl-6-methoxycyclohex-2-en-1-one.
What is the SMILES notation for 4-acetyl-6-methoxycyclohex-2-en-1-one?
The canonical SMILES for 4-acetyl-6-methoxycyclohex-2-en-1-one is COC1CC(C(C)=O)C=CC1=O.
What is the InChIKey of 4-acetyl-6-methoxycyclohex-2-en-1-one?
The InChIKey is LGNGAZAALIKOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-4,7,9H,5H2,1-2H3.
What are the key properties of 4-acetyl-6-methoxycyclohex-2-en-1-one?
4-acetyl-6-methoxycyclohex-2-en-1-one has a molecular weight of 168.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 123307835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).