2H-1,2-benzoxazine-3,4-diol

C8H7NO3 — CID 68719478

IUPAC2H-1,2-benzoxazine-3,4-diol
SMILESOC1=C(O)c2ccccc2ON1
InChIInChI=1S/C8H7NO3/c10-7-5-3-1-2-4-6(5)12-9-8(7)11/h1-4,9-11H
InChIKeyDMLYRAKTWAYHJV-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.33
Rot. Bonds

About 2H-1,2-benzoxazine-3,4-diol

2H-1,2-benzoxazine-3,4-diol (PubChem CID 68719478) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2H-1,2-benzoxazine-3,4-diol.

Molecular Properties

Compound Name2H-1,2-benzoxazine-3,4-diol
PubChem CID68719478
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name2H-1,2-benzoxazine-3,4-diol
SMILESOC1=C(O)c2ccccc2ON1
InChIInChI=1S/C8H7NO3/c10-7-5-3-1-2-4-6(5)12-9-8(7)11/h1-4,9-11H
InChIKeyDMLYRAKTWAYHJV-UHFFFAOYSA-N
XLogP1.33
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2H-1,2-benzoxazine-3,4-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 2H-1,2-benzoxazine-3,4-diol?
The IUPAC name of 2H-1,2-benzoxazine-3,4-diol (CID 68719478) is 2H-1,2-benzoxazine-3,4-diol.
What is the SMILES notation for 2H-1,2-benzoxazine-3,4-diol?
The canonical SMILES for 2H-1,2-benzoxazine-3,4-diol is OC1=C(O)c2ccccc2ON1.
What is the InChIKey of 2H-1,2-benzoxazine-3,4-diol?
The InChIKey is DMLYRAKTWAYHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-7-5-3-1-2-4-6(5)12-9-8(7)11/h1-4,9-11H.
What are the key properties of 2H-1,2-benzoxazine-3,4-diol?
2H-1,2-benzoxazine-3,4-diol has a molecular weight of 165.15 g/mol, XLogP of 1.33, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazine-3,4-diol is sourced from PubChem (CID 68719478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).