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

C13H9NO4 — CID 135522275

IUPAC4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccc(O)cc3o2)c(O)c1
InChIInChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18-13/h1-6,15-17H
InChIKeyFLDXQSCXJKEXJF-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.61
Rot. Bonds1

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

4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol (PubChem CID 135522275) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
PubChem CID135522275
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccc(O)cc3o2)c(O)c1
InChIInChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18-13/h1-6,15-17H
InChIKeyFLDXQSCXJKEXJF-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

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

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

Launch Full Analysis

Related Compounds

2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol
CID 135508382
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone
CID 174634170
4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile
CID 165357068
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol
CID 137169500
6-hydroxy-1,3-benzoxazole-2-carbaldehyde
CID 82415216
4-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol
CID 135779414
3-hydroxy-4-(6-nitro-1,3-benzoxazol-2-yl)benzoic acid
CID 136791037
azane;2-(1,3-benzoxazol-2-yl)phenol;phenol;toluene
CID 160629799
2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol
CID 25211972

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol (CID 135522275) is 4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol is Oc1ccc(-c2nc3ccc(O)cc3o2)c(O)c1.
What is the InChIKey of 4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol?
The InChIKey is FLDXQSCXJKEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18-13/h1-6,15-17H.
What are the key properties of 4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol?
4-(6-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-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 135522275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).