2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol

C13H9NO4 — CID 135830961

IUPAC2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol
SMILESOc1ccc(-c2nc3c(O)cc(O)cc3o2)cc1
InChIInChI=1S/C13H9NO4/c15-8-3-1-7(2-4-8)13-14-12-10(17)5-9(16)6-11(12)18-13/h1-6,15-17H
InChIKeyTXVXYAXMJQRBSQ-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.61
Rot. Bonds1

About 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol

2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol (PubChem CID 135830961) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol
PubChem CID135830961
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol
SMILESOc1ccc(-c2nc3c(O)cc(O)cc3o2)cc1
InChIInChI=1S/C13H9NO4/c15-8-3-1-7(2-4-8)13-14-12-10(17)5-9(16)6-11(12)18-13/h1-6,15-17H
InChIKeyTXVXYAXMJQRBSQ-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

2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol
CID 135830958
4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol
CID 135958578
6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135830954
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol
CID 174517868
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
7-chloro-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135409255
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 82231763
4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
CID 135522275
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol?
The IUPAC name of 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol (CID 135830961) is 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol is Oc1ccc(-c2nc3c(O)cc(O)cc3o2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol?
The InChIKey is TXVXYAXMJQRBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-8-3-1-7(2-4-8)13-14-12-10(17)5-9(16)6-11(12)18-13/h1-6,15-17H.
What are the key properties of 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol?
2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-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 2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol is sourced from PubChem (CID 135830961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).