1-hydroxy-3,4-dihydro-2,1-benzoxazine

C8H9NO2 — CID 152618983

IUPAC1-hydroxy-3,4-dihydro-2,1-benzoxazine
SMILESON1OCCc2ccccc21
InChIInChI=1S/C8H9NO2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4,10H,5-6H2
InChIKeyZBCUIUDWJQFEOO-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.37
Rot. Bonds

About 1-hydroxy-3,4-dihydro-2,1-benzoxazine

1-hydroxy-3,4-dihydro-2,1-benzoxazine (PubChem CID 152618983) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-hydroxy-3,4-dihydro-2,1-benzoxazine.

Molecular Properties

Compound Name1-hydroxy-3,4-dihydro-2,1-benzoxazine
PubChem CID152618983
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-hydroxy-3,4-dihydro-2,1-benzoxazine
SMILESON1OCCc2ccccc21
InChIInChI=1S/C8H9NO2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4,10H,5-6H2
InChIKeyZBCUIUDWJQFEOO-UHFFFAOYSA-N
XLogP1.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-hydroxy-3,4-dihydro-2,1-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3,4-dihydro-2,1-benzoxazine
CID 89212009
1-(3,4-dihydro-2,1-benzoxazin-1-yl)-2-methylbutan-1-one
CID 10536866
1-[(2R)-oxan-2-yl]-2,3-dihydroindole
CID 134858745
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-azido-2,3-dihydroindole
CID 54253401
2,3-dihydroindol-1-ylsilane
CID 149251229
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
2,3-dihydroindol-1-ylurea
CID 22353227
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-morpholin-4-ylethanone
CID 777342
2,3-dihydroindol-1-amine;dihydrochloride
CID 172716948

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4-dihydro-2,1-benzoxazine?
The IUPAC name of 1-hydroxy-3,4-dihydro-2,1-benzoxazine (CID 152618983) is 1-hydroxy-3,4-dihydro-2,1-benzoxazine.
What is the SMILES notation for 1-hydroxy-3,4-dihydro-2,1-benzoxazine?
The canonical SMILES for 1-hydroxy-3,4-dihydro-2,1-benzoxazine is ON1OCCc2ccccc21.
What is the InChIKey of 1-hydroxy-3,4-dihydro-2,1-benzoxazine?
The InChIKey is ZBCUIUDWJQFEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4,10H,5-6H2.
What are the key properties of 1-hydroxy-3,4-dihydro-2,1-benzoxazine?
1-hydroxy-3,4-dihydro-2,1-benzoxazine has a molecular weight of 151.16 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4-dihydro-2,1-benzoxazine is sourced from PubChem (CID 152618983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).