3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide

C21H13NO6 — CID 18921341

IUPAC3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C21H13NO6/c22-19(25)10-1-4-14-13(7-10)20(26)28-21(14)15-5-2-11(23)8-17(15)27-18-9-12(24)3-6-16(18)21/h1-9,23-24H,(H2,22,25)
InChIKeyJHIZLEWPOBCVCY-UHFFFAOYSA-N
MW375.34 g/mol
LogP2.76
Rot. Bonds1

About 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide

3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide (PubChem CID 18921341) has the molecular formula C21H13NO6 and a molecular weight of 375.34 g/mol. Its IUPAC name is 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide.

Molecular Properties

Compound Name3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
PubChem CID18921341
Molecular FormulaC21H13NO6
Molecular Weight375.34 g/mol
Exact Mass375.07
IUPAC Name3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C21H13NO6/c22-19(25)10-1-4-14-13(7-10)20(26)28-21(14)15-5-2-11(23)8-17(15)27-18-9-12(24)3-6-16(18)21/h1-9,23-24H,(H2,22,25)
InChIKeyJHIZLEWPOBCVCY-UHFFFAOYSA-N
XLogP2.76
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?
The IUPAC name of 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide (CID 18921341) is 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide.
What is the SMILES notation for 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?
The canonical SMILES for 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.
What is the InChIKey of 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?
The InChIKey is JHIZLEWPOBCVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO6/c22-19(25)10-1-4-14-13(7-10)20(26)28-21(14)15-5-2-11(23)8-17(15)27-18-9-12(24)3-6-16(18)21/h1-9,23-24H,(H2,22,25).
What are the key properties of 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?
3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide has a molecular weight of 375.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide is sourced from PubChem (CID 18921341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).