6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol

C16H10N2O2 — CID 166336520

IUPAC6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol
SMILESOc1ccc2cc(-c3cccc4nonc34)ccc2c1
InChIInChI=1S/C16H10N2O2/c19-13-7-6-10-8-12(5-4-11(10)9-13)14-2-1-3-15-16(14)18-20-17-15/h1-9,19H
InChIKeyDXVYSHFDJCNNAY-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.75
Rot. Bonds1

About 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol

6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol (PubChem CID 166336520) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol
PubChem CID166336520
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol
SMILESOc1ccc2cc(-c3cccc4nonc34)ccc2c1
InChIInChI=1S/C16H10N2O2/c19-13-7-6-10-8-12(5-4-11(10)9-13)14-2-1-3-15-16(14)18-20-17-15/h1-9,19H
InChIKeyDXVYSHFDJCNNAY-UHFFFAOYSA-N
XLogP3.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol?
The IUPAC name of 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol (CID 166336520) is 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol?
The canonical SMILES for 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol is Oc1ccc2cc(-c3cccc4nonc34)ccc2c1.
What is the InChIKey of 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol?
The InChIKey is DXVYSHFDJCNNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-13-7-6-10-8-12(5-4-11(10)9-13)14-2-1-3-15-16(14)18-20-17-15/h1-9,19H.
What are the key properties of 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol?
6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol has a molecular weight of 262.27 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,1,3-benzoxadiazol-4-yl)naphthalen-2-ol is sourced from PubChem (CID 166336520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).