2-(2H-1,2-benzoxazin-3-yl)ethanol

C10H11NO2 — CID 141451515

IUPAC2-(2H-1,2-benzoxazin-3-yl)ethanol
SMILESOCCC1=Cc2ccccc2ON1
InChIInChI=1S/C10H11NO2/c12-6-5-9-7-8-3-1-2-4-10(8)13-11-9/h1-4,7,11-12H,5-6H2
InChIKeyVYWDIVCLQBWUMV-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.31
Rot. Bonds2

About 2-(2H-1,2-benzoxazin-3-yl)ethanol

2-(2H-1,2-benzoxazin-3-yl)ethanol (PubChem CID 141451515) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(2H-1,2-benzoxazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(2H-1,2-benzoxazin-3-yl)ethanol
PubChem CID141451515
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(2H-1,2-benzoxazin-3-yl)ethanol
SMILESOCCC1=Cc2ccccc2ON1
InChIInChI=1S/C10H11NO2/c12-6-5-9-7-8-3-1-2-4-10(8)13-11-9/h1-4,7,11-12H,5-6H2
InChIKeyVYWDIVCLQBWUMV-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,2-benzoxazin-3-yl)ethanol?
The IUPAC name of 2-(2H-1,2-benzoxazin-3-yl)ethanol (CID 141451515) is 2-(2H-1,2-benzoxazin-3-yl)ethanol.
What is the SMILES notation for 2-(2H-1,2-benzoxazin-3-yl)ethanol?
The canonical SMILES for 2-(2H-1,2-benzoxazin-3-yl)ethanol is OCCC1=Cc2ccccc2ON1.
What is the InChIKey of 2-(2H-1,2-benzoxazin-3-yl)ethanol?
The InChIKey is VYWDIVCLQBWUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-5-9-7-8-3-1-2-4-10(8)13-11-9/h1-4,7,11-12H,5-6H2.
What are the key properties of 2-(2H-1,2-benzoxazin-3-yl)ethanol?
2-(2H-1,2-benzoxazin-3-yl)ethanol has a molecular weight of 177.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,2-benzoxazin-3-yl)ethanol is sourced from PubChem (CID 141451515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).