3-methoxybenzene-1,2-diol

C7H8O3 — CID 13622

IUPAC3-methoxybenzene-1,2-diol
SMILESCOc1cccc(O)c1O
InChIInChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3
InChIKeyLPYUENQFPVNPHY-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.11
Rot. Bonds1

About 3-methoxybenzene-1,2-diol

3-methoxybenzene-1,2-diol (PubChem CID 13622) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-methoxybenzene-1,2-diol.

Molecular Properties

Compound Name3-methoxybenzene-1,2-diol
PubChem CID13622
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name3-methoxybenzene-1,2-diol
SMILESCOc1cccc(O)c1O
InChIInChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3
InChIKeyLPYUENQFPVNPHY-UHFFFAOYSA-N
XLogP1.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-methoxybenzene-1,2-diol 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 3-methoxybenzene-1,2-diol?
The IUPAC name of 3-methoxybenzene-1,2-diol (CID 13622) is 3-methoxybenzene-1,2-diol.
What is the SMILES notation for 3-methoxybenzene-1,2-diol?
The canonical SMILES for 3-methoxybenzene-1,2-diol is COc1cccc(O)c1O.
What is the InChIKey of 3-methoxybenzene-1,2-diol?
The InChIKey is LPYUENQFPVNPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3.
What are the key properties of 3-methoxybenzene-1,2-diol?
3-methoxybenzene-1,2-diol has a molecular weight of 140.14 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybenzene-1,2-diol is sourced from PubChem (CID 13622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).