4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol

C13H9NO4 — CID 135486039

IUPAC4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3cc(O)ccc3o2)c(O)c1
InChIInChI=1S/C13H9NO4/c15-7-2-4-12-10(5-7)14-13(18-12)9-3-1-8(16)6-11(9)17/h1-6,15-17H
InChIKeyRGXSSCFRVTXICH-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.61
Rot. Bonds1

About 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol

4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol (PubChem CID 135486039) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
PubChem CID135486039
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3cc(O)ccc3o2)c(O)c1
InChIInChI=1S/C13H9NO4/c15-7-2-4-12-10(5-7)14-13(18-12)9-3-1-8(16)6-11(9)17/h1-6,15-17H
InChIKeyRGXSSCFRVTXICH-UHFFFAOYSA-N
XLogP2.61
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Prinaberel
CID 656954
2-(2-Benzoxazolyl)phenol
CID 13269
Way-200070
CID 135418373
2-(5-Hydroxy-naphthalen-1-YL)-1,3-benzooxazol-6-OL
CID 4369550
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-5-ol
CID 9993627
2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
5-Benzoxazolol, 2-(4-hydroxyphenyl)-
CID 135405741
7-Ethynyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135409723
2-(4-Hydroxy-phenyl)-7-methoxy-benzooxazol-5-ol
CID 135409725
2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol
CID 135409756

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol (CID 135486039) is 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol is Oc1ccc(-c2nc3cc(O)ccc3o2)c(O)c1.
What is the InChIKey of 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol?
The InChIKey is RGXSSCFRVTXICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-7-2-4-12-10(5-7)14-13(18-12)9-3-1-8(16)6-11(9)17/h1-6,15-17H.
What are the key properties of 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol?
4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol has a molecular weight of 243.22 g/mol, XLogP of 2.61, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 135486039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).