3-anilinobenzene-1,2-diol

C12H11NO2 — CID 57399635

IUPAC3-anilinobenzene-1,2-diol
SMILESOc1cccc(Nc2ccccc2)c1O
InChIInChI=1S/C12H11NO2/c14-11-8-4-7-10(12(11)15)13-9-5-2-1-3-6-9/h1-8,13-15H
InChIKeyZNKLACXCGOFVBZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.84
Rot. Bonds2

About 3-anilinobenzene-1,2-diol

3-anilinobenzene-1,2-diol (PubChem CID 57399635) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-anilinobenzene-1,2-diol.

Molecular Properties

Compound Name3-anilinobenzene-1,2-diol
PubChem CID57399635
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name3-anilinobenzene-1,2-diol
SMILESOc1cccc(Nc2ccccc2)c1O
InChIInChI=1S/C12H11NO2/c14-11-8-4-7-10(12(11)15)13-9-5-2-1-3-6-9/h1-8,13-15H
InChIKeyZNKLACXCGOFVBZ-UHFFFAOYSA-N
XLogP2.84
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.84
H-Bond Donors ≤ 53
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-anilinobenzene-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-anilinobenzene-1,2-diol?
The IUPAC name of 3-anilinobenzene-1,2-diol (CID 57399635) is 3-anilinobenzene-1,2-diol.
What is the SMILES notation for 3-anilinobenzene-1,2-diol?
The canonical SMILES for 3-anilinobenzene-1,2-diol is Oc1cccc(Nc2ccccc2)c1O.
What is the InChIKey of 3-anilinobenzene-1,2-diol?
The InChIKey is ZNKLACXCGOFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-8-4-7-10(12(11)15)13-9-5-2-1-3-6-9/h1-8,13-15H.
What are the key properties of 3-anilinobenzene-1,2-diol?
3-anilinobenzene-1,2-diol has a molecular weight of 201.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilinobenzene-1,2-diol is sourced from PubChem (CID 57399635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).