3-(1,3-benzoxazol-2-yl)phenol

C13H9NO2 — CID 13142948

IUPAC3-(1,3-benzoxazol-2-yl)phenol
SMILESOc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C13H9NO2/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
InChIKeyQHUYLIOMTFQOSN-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.20
Rot. Bonds1

About 3-(1,3-benzoxazol-2-yl)phenol

3-(1,3-benzoxazol-2-yl)phenol (PubChem CID 13142948) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)phenol
PubChem CID13142948
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name3-(1,3-benzoxazol-2-yl)phenol
SMILESOc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C13H9NO2/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
InChIKeyQHUYLIOMTFQOSN-UHFFFAOYSA-N
XLogP3.20
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)phenol (CID 13142948) is 3-(1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)phenol is Oc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)phenol?
The InChIKey is QHUYLIOMTFQOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H.
What are the key properties of 3-(1,3-benzoxazol-2-yl)phenol?
3-(1,3-benzoxazol-2-yl)phenol has a molecular weight of 211.22 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 13142948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).