2-(2H-1,4-benzoxazin-3-yl)ethanol

C10H11NO2 — CID 152746727

IUPAC2-(2H-1,4-benzoxazin-3-yl)ethanol
SMILESOCCC1=Nc2ccccc2OC1
InChIInChI=1S/C10H11NO2/c12-6-5-8-7-13-10-4-2-1-3-9(10)11-8/h1-4,12H,5-7H2
InChIKeySFBAFFVSBKFIHT-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.53
Rot. Bonds2

About 2-(2H-1,4-benzoxazin-3-yl)ethanol

2-(2H-1,4-benzoxazin-3-yl)ethanol (PubChem CID 152746727) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(2H-1,4-benzoxazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(2H-1,4-benzoxazin-3-yl)ethanol
PubChem CID152746727
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(2H-1,4-benzoxazin-3-yl)ethanol
SMILESOCCC1=Nc2ccccc2OC1
InChIInChI=1S/C10H11NO2/c12-6-5-8-7-13-10-4-2-1-3-9(10)11-8/h1-4,12H,5-7H2
InChIKeySFBAFFVSBKFIHT-UHFFFAOYSA-N
XLogP1.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,4-benzoxazine
CID 118982278
3-cyclohexa-1,5-dien-1-yl-2H-1,4-benzoxazine
CID 67788631
3-[(3E)-penta-1,3-dien-3-yl]-2H-1,4-benzoxazine
CID 144585651
1-(2H-1,4-benzoxazin-3-yl)-3-butylurea
CID 134086653
13,14-diphenyl-2,5-dioxa-12,15-diazatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,12,14,16,18-octaene
CID 101367912
3-(3-bromophenyl)-2H-1,4-benzoxazine
CID 57325803
1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine
CID 170003747
11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene
CID 129147747
3H-4,1,2-benzoxadiazine;hydrochloride
CID 142105710
2-butyl-4H-3,1-benzoxazine
CID 10726326
2-[5-(4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine
CID 59140883
3-amino-2H-1,4-benzoxazin-7-ol
CID 115012899

Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,4-benzoxazin-3-yl)ethanol?
The IUPAC name of 2-(2H-1,4-benzoxazin-3-yl)ethanol (CID 152746727) is 2-(2H-1,4-benzoxazin-3-yl)ethanol.
What is the SMILES notation for 2-(2H-1,4-benzoxazin-3-yl)ethanol?
The canonical SMILES for 2-(2H-1,4-benzoxazin-3-yl)ethanol is OCCC1=Nc2ccccc2OC1.
What is the InChIKey of 2-(2H-1,4-benzoxazin-3-yl)ethanol?
The InChIKey is SFBAFFVSBKFIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-5-8-7-13-10-4-2-1-3-9(10)11-8/h1-4,12H,5-7H2.
What are the key properties of 2-(2H-1,4-benzoxazin-3-yl)ethanol?
2-(2H-1,4-benzoxazin-3-yl)ethanol has a molecular weight of 177.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,4-benzoxazin-3-yl)ethanol is sourced from PubChem (CID 152746727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).