6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one

C9H12O3 — CID 16754133

IUPAC6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCOC1=CC=C(C)C(=O)C1(C)O
InChIInChI=1S/C9H12O3/c1-6-4-5-7(12-3)9(2,11)8(6)10/h4-5,11H,1-3H3
InChIKeyGLODTFIZDNDOCG-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.80
Rot. Bonds1

About 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one

6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 16754133) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one
PubChem CID16754133
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCOC1=CC=C(C)C(=O)C1(C)O
InChIInChI=1S/C9H12O3/c1-6-4-5-7(12-3)9(2,11)8(6)10/h4-5,11H,1-3H3
InChIKeyGLODTFIZDNDOCG-UHFFFAOYSA-N
XLogP0.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethenyl-4-hex-1-ynyl-4-hydroxy-3-methoxycyclobut-2-en-1-one
CID 14415860
(R,Z)-2-hydroxy-6-(1-hydroxyethylidene)-2,5-dimethylcyclohex-4-ene-1,3-dione
CID 131700122
(Z)-2-hydroxy-6-(1-hydroxyethylidene)-2,5-dimethylcyclohex-4-ene-1,3-dione
CID 131700126
2-Ethenyl-4-hydroxy-3-methoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 10607455
6-Hydroxy-5-methoxy-6-(2-oxopropyl)cyclohexa-2,4-dien-1-one
CID 241781
4-Hydroxy-3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
CID 10488577
2-Ethenyl-4-hydroxy-3-methoxy-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
CID 10607845
4-hydroxy-4-methyl-3-propan-2-yloxy-2-[(E)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10636330
4-hydroxy-4-methyl-3-propan-2-yloxy-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10755079
2-Acetyl-3,6-dihydroxy-5-methoxy-6-methylcyclohexa-2,4-dien-1-one
CID 11127566
(6R)-6-hydroxy-5-methoxy-6-(2-oxopropyl)cyclohexa-2,4-dien-1-one
CID 92158594
(6S)-6-hydroxy-5-methoxy-6-(2-oxopropyl)cyclohexa-2,4-dien-1-one
CID 92172139

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one (CID 16754133) is 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one is COC1=CC=C(C)C(=O)C1(C)O.
What is the InChIKey of 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is GLODTFIZDNDOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-6-4-5-7(12-3)9(2,11)8(6)10/h4-5,11H,1-3H3.
What are the key properties of 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one?
6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 168.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 16754133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).