2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol

C9H14O3 — CID 89428847

IUPAC2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(C)(OC)C1O
InChIInChI=1S/C9H14O3/c1-9(12-3)6-4-5-7(11-2)8(9)10/h4-6,8,10H,1-3H3
InChIKeyHTKBELKOAHHFPO-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.85
Rot. Bonds2

About 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol

2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 89428847) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID89428847
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(C)(OC)C1O
InChIInChI=1S/C9H14O3/c1-9(12-3)6-4-5-7(11-2)8(9)10/h4-6,8,10H,1-3H3
InChIKeyHTKBELKOAHHFPO-UHFFFAOYSA-N
XLogP0.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol (CID 89428847) is 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol is COC1=CC=CC(C)(OC)C1O.
What is the InChIKey of 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is HTKBELKOAHHFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(12-3)6-4-5-7(11-2)8(9)10/h4-6,8,10H,1-3H3.
What are the key properties of 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol?
2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 170.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 89428847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).