3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol

C14H10N2O4 — CID 164626411

IUPAC3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol
SMILESOc1ccccc1-c1nnc(-c2cccc(O)c2O)o1
InChIInChI=1S/C14H10N2O4/c17-10-6-2-1-4-8(10)13-15-16-14(20-13)9-5-3-7-11(18)12(9)19/h1-7,17-19H
InChIKeyHBDNCYGCSNEHBF-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.52
Rot. Bonds2

About 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol

3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol (PubChem CID 164626411) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol
PubChem CID164626411
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol
SMILESOc1ccccc1-c1nnc(-c2cccc(O)c2O)o1
InChIInChI=1S/C14H10N2O4/c17-10-6-2-1-4-8(10)13-15-16-14(20-13)9-5-3-7-11(18)12(9)19/h1-7,17-19H
InChIKeyHBDNCYGCSNEHBF-UHFFFAOYSA-N
XLogP2.52
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol?
The IUPAC name of 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol (CID 164626411) is 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol.
What is the SMILES notation for 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol?
The canonical SMILES for 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol is Oc1ccccc1-c1nnc(-c2cccc(O)c2O)o1.
What is the InChIKey of 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol?
The InChIKey is HBDNCYGCSNEHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-10-6-2-1-4-8(10)13-15-16-14(20-13)9-5-3-7-11(18)12(9)19/h1-7,17-19H.
What are the key properties of 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol?
3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol has a molecular weight of 270.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diol is sourced from PubChem (CID 164626411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).