(4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one

C10H12O2 — CID 177465196

IUPAC(4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one
SMILESC/C=C1/C=C(C)C(=O)C(O)=C1C
InChIInChI=1S/C10H12O2/c1-4-8-5-6(2)9(11)10(12)7(8)3/h4-5,12H,1-3H3/b8-4-
InChIKeyJGODCDIQWVVBGL-YWEYNIOJSA-N
MW164.20 g/mol
LogP2.29
Rot. Bonds

About (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one

(4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one (PubChem CID 177465196) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one
PubChem CID177465196
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one
SMILESC/C=C1/C=C(C)C(=O)C(O)=C1C
InChIInChI=1S/C10H12O2/c1-4-8-5-6(2)9(11)10(12)7(8)3/h4-5,12H,1-3H3/b8-4-
InChIKeyJGODCDIQWVVBGL-YWEYNIOJSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-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

(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
CID 20759610
2-cyclopenta-2,4-dien-1-yl-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
CID 101232705
3-hydroxy-5-methyl-2-(1,2,2-trimethyl-4-oxocyclopentyl)cyclohexa-2,5-diene-1,4-dione
CID 163104864
2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol
CID 143566359
2-(2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
CID 58876314
(6Z)-6-ethylidene-3,4-dimethylcyclohexa-1,3-dien-1-ol
CID 147503380
2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,6-trimethylphenol
CID 158855611
2,6-dimethyl-4-sulfanylidenecyclohexa-2,5-dien-1-one
CID 100937387
2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one
CID 118968445
3-chloro-4,5-dimethylcyclohexa-3,5-diene-1,2-dione
CID 130026639
3,5-dimethyl-2-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
CID 138983622
N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
CID 130011564

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one (CID 177465196) is (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one is C/C=C1/C=C(C)C(=O)C(O)=C1C.
What is the InChIKey of (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one?
The InChIKey is JGODCDIQWVVBGL-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-8-5-6(2)9(11)10(12)7(8)3/h4-5,12H,1-3H3/b8-4-.
What are the key properties of (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one?
(4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one has a molecular weight of 164.20 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 177465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).