3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one

C8H10O3 — CID 130030729

IUPAC3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC(O)=CC(=O)C1(C)O
InChIInChI=1S/C8H10O3/c1-5-3-6(9)4-7(10)8(5,2)11/h3-4,9,11H,1-2H3
InChIKeyKHUAYTGLIPIVPA-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.71
Rot. Bonds

About 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one

3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 130030729) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one
PubChem CID130030729
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC(O)=CC(=O)C1(C)O
InChIInChI=1S/C8H10O3/c1-5-3-6(9)4-7(10)8(5,2)11/h3-4,9,11H,1-2H3
InChIKeyKHUAYTGLIPIVPA-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione
CID 12768990
4,5-dimethylcyclohexa-1,5-diene-1,4-diol
CID 154516421
7-hydroxy-3,4,7-trimethylisochromene-6,8-dione
CID 163159990
propanoic acid;3,4,5-trimethylcyclohexa-1,5-diene-1,4-diol
CID 175041880
3-hydroxy-6,6-dimethoxycyclohexa-2,4-dien-1-one
CID 130031634
5,6-dihydroxy-3,6-dimethylcyclohex-2-en-1-one
CID 74326237
4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one
CID 142508450
(1S,5S)-4,8-dimethyltricyclo[3.3.1.01,5]nona-3,7-diene-2,6-dione
CID 1486161
3-hydroxy-2,6,6-trimethyl-5-oxocyclohexa-1,3-diene-1-carbaldehyde
CID 91753280
2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
CID 85290962
1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one
CID 42604620
4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
CID 54712242

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one (CID 130030729) is 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one is CC1=CC(O)=CC(=O)C1(C)O.
What is the InChIKey of 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is KHUAYTGLIPIVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-3-6(9)4-7(10)8(5,2)11/h3-4,9,11H,1-2H3.
What are the key properties of 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one?
3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 154.16 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 130030729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).