2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol

C15H13NO2 — CID 3039779

IUPAC2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol
SMILESOCCc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C15H13NO2/c17-9-8-11-6-7-13-14(10-11)18-15(16-13)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyKMDZWNLTWZXSQD-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.03
Rot. Bonds3

About 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol

2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol (PubChem CID 3039779) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol.

Molecular Properties

Compound Name2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol
PubChem CID3039779
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol
SMILESOCCc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C15H13NO2/c17-9-8-11-6-7-13-14(10-11)18-15(16-13)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyKMDZWNLTWZXSQD-UHFFFAOYSA-N
XLogP3.03
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol?
The IUPAC name of 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol (CID 3039779) is 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol.
What is the SMILES notation for 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol?
The canonical SMILES for 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol is OCCc1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol?
The InChIKey is KMDZWNLTWZXSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-9-8-11-6-7-13-14(10-11)18-15(16-13)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2.
What are the key properties of 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol?
2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol has a molecular weight of 239.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol is sourced from PubChem (CID 3039779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).