2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione

C8H8O5 — CID 136773313

IUPAC2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(O)C(=O)C(O)=C(C)C1=O
InChIInChI=1S/C8H8O5/c1-3-4(9)6(11)7(12)8(13-2)5(3)10/h9,12H,1-2H3
InChIKeyOXXPMFLZLUGGPV-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.39
Rot. Bonds1

About 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione

2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione (PubChem CID 136773313) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
PubChem CID136773313
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(O)C(=O)C(O)=C(C)C1=O
InChIInChI=1S/C8H8O5/c1-3-4(9)6(11)7(12)8(13-2)5(3)10/h9,12H,1-2H3
InChIKeyOXXPMFLZLUGGPV-UHFFFAOYSA-N
XLogP0.39
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione 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

Aurantiogliocladin
CID 12299893
2-Hydroxy-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 14381939
2-Methyl-3-Oxy-5-Methoxy-p-Chinon
CID 13918554
Spinulosin
CID 66556
2,3-Dihydroxy-5,6-dimethyl-2,5-cyclohexadiene-1,4-dione
CID 136239716
Fumigatin
CID 119035
2-Hydroxy-3-methoxy-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 136349965
Methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
CID 136462571
2,5-Dihydroxy-3,6-dimethylbenzo-1,4-quinone
CID 318241
p-Benzoquinone, 2,5-dimethoxy-3,6-dimethyl-
CID 566298
2,5-Dihydroxy-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 261969
2-(Difluoromethyl)-3,5,6-trimethoxycyclohexa-2,5-diene-1,4-dione
CID 15365725

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione (CID 136773313) is 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione is COC1=C(O)C(=O)C(O)=C(C)C1=O.
What is the InChIKey of 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is OXXPMFLZLUGGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-3-4(9)6(11)7(12)8(13-2)5(3)10/h9,12H,1-2H3.
What are the key properties of 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione?
2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 184.15 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 136773313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).