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

C13H9NO3 — CID 135474202

IUPAC3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3ccccc3O)noc2c1
InChIInChI=1S/C13H9NO3/c15-8-5-6-10-12(7-8)17-14-13(10)9-3-1-2-4-11(9)16/h1-7,15-16H
InChIKeyPKKSNVBSDIEUEZ-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.91
Rot. Bonds1

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

3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol (PubChem CID 135474202) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol
PubChem CID135474202
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3ccccc3O)noc2c1
InChIInChI=1S/C13H9NO3/c15-8-5-6-10-12(7-8)17-14-13(10)9-3-1-2-4-11(9)16/h1-7,15-16H
InChIKeyPKKSNVBSDIEUEZ-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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol (CID 135474202) is 3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol is Oc1ccc2c(-c3ccccc3O)noc2c1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol?
The InChIKey is PKKSNVBSDIEUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-8-5-6-10-12(7-8)17-14-13(10)9-3-1-2-4-11(9)16/h1-7,15-16H.
What are the key properties of 3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol?
3-(2-hydroxyphenyl)-1,2-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 3-(2-hydroxyphenyl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 135474202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).