2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

C8H10O3 — CID 86107084

IUPAC2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1(C)C=CC(O)=C(O)C1=O
InChIInChI=1S/C8H10O3/c1-8(2)4-3-5(9)6(10)7(8)11/h3-4,9-10H,1-2H3
InChIKeyAFFBMDWPWKHBLS-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.48
Rot. Bonds

About 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 86107084) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
PubChem CID86107084
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1(C)C=CC(O)=C(O)C1=O
InChIInChI=1S/C8H10O3/c1-8(2)4-3-5(9)6(10)7(8)11/h3-4,9-10H,1-2H3
InChIKeyAFFBMDWPWKHBLS-UHFFFAOYSA-N
XLogP1.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-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

Npc68298
CID 550690
Acetylfilicinic acid
CID 537704
2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-5-hydroxy-
CID 14496021
6-hydroxy-3-[(1Z,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,4,4-trimethylcyclohexa-2,5-dien-1-one
CID 134204029
Methyl-filicinsaure
CID 129642696
4-Tert-butyl-3-hydroxycyclohexa-3,5-diene-1,2-dione
CID 12027801
2,3-Dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one
CID 14629450
4-Hydroxy-5-(2-methylbutan-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 18663660
6-hydroxy-3-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,4,4-trimethylcyclohexa-2,5-dien-1-one
CID 118873536
6-hydroxy-3-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-2,4,4-trimethylcyclohexa-2,5-dien-1-one
CID 118873540
6-hydroxy-2,4,4-trimethyl-3-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexa-2,5-dien-1-one
CID 118889074
6-hydroxy-3-[(1Z)-3-hydroxy-3-methylpenta-1,4-dienyl]-2,4,4-trimethylcyclohexa-2,5-dien-1-one
CID 130275995

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one (CID 86107084) is 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one is CC1(C)C=CC(O)=C(O)C1=O.
What is the InChIKey of 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is AFFBMDWPWKHBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-8(2)4-3-5(9)6(10)7(8)11/h3-4,9-10H,1-2H3.
What are the key properties of 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 154.16 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 86107084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).