6-methoxy-3-methylcyclohexa-2,4-dien-1-ol

C8H12O2 — CID 89265152

IUPAC6-methoxy-3-methylcyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC(C)=CC1O
InChIInChI=1S/C8H12O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,7-9H,1-2H3
InChIKeyPNVYFKJNMWFDRW-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.88
Rot. Bonds1

About 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol

6-methoxy-3-methylcyclohexa-2,4-dien-1-ol (PubChem CID 89265152) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-methoxy-3-methylcyclohexa-2,4-dien-1-ol
PubChem CID89265152
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-methoxy-3-methylcyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC(C)=CC1O
InChIInChI=1S/C8H12O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,7-9H,1-2H3
InChIKeyPNVYFKJNMWFDRW-UHFFFAOYSA-N
XLogP0.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol (CID 89265152) is 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol is COC1C=CC(C)=CC1O.
What is the InChIKey of 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is PNVYFKJNMWFDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,7-9H,1-2H3.
What are the key properties of 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol?
6-methoxy-3-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 140.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 89265152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).