6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one

C8H10O2 — CID 15264449

IUPAC6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC=CC(C)(O)C1=O
InChIInChI=1S/C8H10O2/c1-6-4-3-5-8(2,10)7(6)9/h3-5,10H,1-2H3
InChIKeyLRFLBYDSXWDNOO-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.82
Rot. Bonds

About 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one

6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 15264449) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
PubChem CID15264449
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC=CC(C)(O)C1=O
InChIInChI=1S/C8H10O2/c1-6-4-3-5-8(2,10)7(6)9/h3-5,10H,1-2H3
InChIKeyLRFLBYDSXWDNOO-UHFFFAOYSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-Thujaplicinol
CID 57957991
10-Hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one
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Sorbicillinol
CID 102249972
(6E,10R,11E,13Z)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
CID 162880010
(6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
CID 162880011
(3E,6E,10S)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,6,11-trien-5-one
CID 163015498
(6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one
CID 163058728
(2S,6Z)-2-hydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione
CID 170988611
3-(2-Hydroxypropan-2-yl)cyclohepta-2,4,6-trien-1-one
CID 13500200
2,3-Dihydroxy-4-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one
CID 12309318
1-(1-Hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 66588576
6-Hydroxy-2-methylcyclohexa-2,4-dienone
CID 129662137

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one (CID 15264449) is 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one is CC1=CC=CC(C)(O)C1=O.
What is the InChIKey of 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is LRFLBYDSXWDNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6-4-3-5-8(2,10)7(6)9/h3-5,10H,1-2H3.
What are the key properties of 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one?
6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 15264449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).