7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

C20H11N3O5 — CID 23432586

IUPAC7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILES[N-]=[N+]=Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C20H11N3O5/c21-23-22-15-3-1-2-14-18(15)19(26)28-20(14)12-6-4-10(24)8-16(12)27-17-9-11(25)5-7-13(17)20/h1-9,24-25H
InChIKeyOJZZBMSTESSSJH-UHFFFAOYSA-N
MW373.32 g/mol
LogP4.61
Rot. Bonds1

About 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 23432586) has the molecular formula C20H11N3O5 and a molecular weight of 373.32 g/mol. Its IUPAC name is 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID23432586
Molecular FormulaC20H11N3O5
Molecular Weight373.32 g/mol
Exact Mass373.07
IUPAC Name7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILES[N-]=[N+]=Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C20H11N3O5/c21-23-22-15-3-1-2-14-18(15)19(26)28-20(14)12-6-4-10(24)8-16(12)27-17-9-11(25)5-7-13(17)20/h1-9,24-25H
InChIKeyOJZZBMSTESSSJH-UHFFFAOYSA-N
XLogP4.61
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 23432586) is 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one is [N-]=[N+]=Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.
What is the InChIKey of 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is OJZZBMSTESSSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O5/c21-23-22-15-3-1-2-14-18(15)19(26)28-20(14)12-6-4-10(24)8-16(12)27-17-9-11(25)5-7-13(17)20/h1-9,24-25H.
What are the key properties of 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 373.32 g/mol, XLogP of 4.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 23432586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).