3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole

C23H15NO5S — CID 21183513

IUPAC3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole
SMILESO=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.c1cscn1
InChIInChI=1S/C20H12O5.C3H3NS/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;1-2-5-3-4-1/h1-10,21-22H;1-3H
InChIKeyAKAXBIHTZWKPLS-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.81
Rot. Bonds

About 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole

3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole (PubChem CID 21183513) has the molecular formula C23H15NO5S and a molecular weight of 417.44 g/mol. Its IUPAC name is 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole.

Molecular Properties

Compound Name3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole
PubChem CID21183513
Molecular FormulaC23H15NO5S
Molecular Weight417.44 g/mol
Exact Mass417.07
IUPAC Name3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole
SMILESO=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.c1cscn1
InChIInChI=1S/C20H12O5.C3H3NS/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;1-2-5-3-4-1/h1-10,21-22H;1-3H
InChIKeyAKAXBIHTZWKPLS-UHFFFAOYSA-N
XLogP4.81
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole?
The IUPAC name of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole (CID 21183513) is 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole.
What is the SMILES notation for 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole?
The canonical SMILES for 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole is O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.c1cscn1.
What is the InChIKey of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole?
The InChIKey is AKAXBIHTZWKPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O5.C3H3NS/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;1-2-5-3-4-1/h1-10,21-22H;1-3H.
What are the key properties of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole?
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole has a molecular weight of 417.44 g/mol, XLogP of 4.81, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;1,3-thiazole is sourced from PubChem (CID 21183513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).