4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol

C13H9NO4 — CID 5287464

IUPAC4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol
SMILESOc1ccc(-c2noc3cc(O)ccc23)c(O)c1
InChIInChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H
InChIKeyNBTXJDAHLMMIGY-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.61
Rot. Bonds1

About 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol

4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol (PubChem CID 5287464) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol
PubChem CID5287464
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol
SMILESOc1ccc(-c2noc3cc(O)ccc23)c(O)c1
InChIInChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H
InChIKeyNBTXJDAHLMMIGY-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

3-(6-Hydroxy-naphthalen-2-YL)-benzo[D]isooxazol-6-OL
CID 5287551
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-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135526958
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-ol
CID 135494161
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
2-[4-Benzo[d]furan-2-yl-3-(trifluoromethyl)isoxazol-5-yl]-5-methoxyphenol
CID 1183154

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol (CID 5287464) is 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol is Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1.
What is the InChIKey of 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol?
The InChIKey is NBTXJDAHLMMIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H.
What are the key properties of 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol?
4-(6-hydroxy-1,2-benzoxazol-3-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-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol is sourced from PubChem (CID 5287464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).