2H-1,2-benzoxazin-3-ol

C8H7NO2 — CID 22992156

IUPAC2H-1,2-benzoxazin-3-ol
SMILESOC1=Cc2ccccc2ON1
InChIInChI=1S/C8H7NO2/c10-8-5-6-3-1-2-4-7(6)11-9-8/h1-5,9-10H
InChIKeySNONAWYBSWWKSX-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.44
Rot. Bonds

About 2H-1,2-benzoxazin-3-ol

2H-1,2-benzoxazin-3-ol (PubChem CID 22992156) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2H-1,2-benzoxazin-3-ol.

Molecular Properties

Compound Name2H-1,2-benzoxazin-3-ol
PubChem CID22992156
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2H-1,2-benzoxazin-3-ol
SMILESOC1=Cc2ccccc2ON1
InChIInChI=1S/C8H7NO2/c10-8-5-6-3-1-2-4-7(6)11-9-8/h1-5,9-10H
InChIKeySNONAWYBSWWKSX-UHFFFAOYSA-N
XLogP1.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazin-3-ol?
The IUPAC name of 2H-1,2-benzoxazin-3-ol (CID 22992156) is 2H-1,2-benzoxazin-3-ol.
What is the SMILES notation for 2H-1,2-benzoxazin-3-ol?
The canonical SMILES for 2H-1,2-benzoxazin-3-ol is OC1=Cc2ccccc2ON1.
What is the InChIKey of 2H-1,2-benzoxazin-3-ol?
The InChIKey is SNONAWYBSWWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8-5-6-3-1-2-4-7(6)11-9-8/h1-5,9-10H.
What are the key properties of 2H-1,2-benzoxazin-3-ol?
2H-1,2-benzoxazin-3-ol has a molecular weight of 149.15 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazin-3-ol is sourced from PubChem (CID 22992156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).