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

C13H9NO3 — CID 135526958

IUPAC3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc(-c2noc3cc(O)ccc23)cc1
InChIInChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-11-6-5-10(16)7-12(11)17-14-13/h1-7,15-16H
InChIKeyDPKXDXRRZZTHNM-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.91
Rot. Bonds1

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

3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol (PubChem CID 135526958) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol
PubChem CID135526958
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc(-c2noc3cc(O)ccc23)cc1
InChIInChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-11-6-5-10(16)7-12(11)17-14-13/h1-7,15-16H
InChIKeyDPKXDXRRZZTHNM-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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Related Compounds

3-(6-Hydroxy-naphthalen-2-YL)-benzo[D]isooxazol-6-OL
CID 5287551
4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
4-Bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
CID 135433906
4-Chloro-6-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol
CID 135400938
3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135474202
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-5-ol
CID 135474625
4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol
CID 135496123
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-ol
CID 135494161
2-(1,2-Benzoxazol-3-yl)acetic acid
CID 301729
2-[3-(4-Fluorophenyl)-5-isoxazolyl]-4-methylphenol
CID 873889
5-Methyl-2-(3-phenyl-5-isoxazolyl)phenol
CID 873963
2-(3-Phenyl-5-isoxazolyl)phenol
CID 873352

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol (CID 135526958) is 3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol is Oc1ccc(-c2noc3cc(O)ccc23)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol?
The InChIKey is DPKXDXRRZZTHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-11-6-5-10(16)7-12(11)17-14-13/h1-7,15-16H.
What are the key properties of 3-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol?
3-(4-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-(4-hydroxyphenyl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 135526958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).