2,6-Dimethoxyphenol

C8H10O3 — CID 7041

IUPAC2,6-dimethoxyphenol
SMILESCOC1=C(C(=CC=C1)OC)O
InChIInChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
InChIKeyKLIDCXVFHGNTTM-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.10
Rot. Bonds2

About 2,6-Dimethoxyphenol

2,6-Dimethoxyphenol (PubChem CID 7041) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2,6-dimethoxyphenol.

Molecular Properties

Compound Name2,6-Dimethoxyphenol
PubChem CID7041
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2,6-dimethoxyphenol
SMILESCOC1=C(C(=CC=C1)OC)O
InChIInChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
InChIKeyKLIDCXVFHGNTTM-UHFFFAOYSA-N
XLogP1.10
TPSA38.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity104

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-Dimethoxyphenol 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 2,6-Dimethoxyphenol?
The IUPAC name of 2,6-Dimethoxyphenol (CID 7041) is 2,6-dimethoxyphenol.
What is the SMILES notation for 2,6-Dimethoxyphenol?
The canonical SMILES for 2,6-Dimethoxyphenol is COC1=C(C(=CC=C1)OC)O.
What is the InChIKey of 2,6-Dimethoxyphenol?
The InChIKey is KLIDCXVFHGNTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3.
What are the key properties of 2,6-Dimethoxyphenol?
2,6-Dimethoxyphenol has a molecular weight of 154.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-Dimethoxyphenol is sourced from PubChem (CID 7041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).