2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol

C13H9NO3 — CID 135471161

IUPAC2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol
SMILESOc1ccc(-c2nc3ccc(O)cc3o2)cc1
InChIInChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17-13/h1-7,15-16H
InChIKeyPDCFEVXISBNCNF-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.91
Rot. Bonds1

About 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol

2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol (PubChem CID 135471161) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol
PubChem CID135471161
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol
SMILESOc1ccc(-c2nc3ccc(O)cc3o2)cc1
InChIInChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17-13/h1-7,15-16H
InChIKeyPDCFEVXISBNCNF-UHFFFAOYSA-N
XLogP2.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol (CID 135471161) is 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol is Oc1ccc(-c2nc3ccc(O)cc3o2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol?
The InChIKey is PDCFEVXISBNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17-13/h1-7,15-16H.
What are the key properties of 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol?
2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol has a molecular weight of 227.22 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 135471161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).