3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one

C20H14O5 — CID 21136555

IUPAC3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one
SMILESO=C1OC2(c3ccc(O)cc3OC3C=C(O)C=CC32)c2ccccc21
InChIInChI=1S/C20H14O5/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/h1-10,15,17,21-22H
InChIKeyOTXZLQWRCDOELX-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.20
Rot. Bonds

About 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one

3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one (PubChem CID 21136555) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one.

Molecular Properties

Compound Name3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one
PubChem CID21136555
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one
SMILESO=C1OC2(c3ccc(O)cc3OC3C=C(O)C=CC32)c2ccccc21
InChIInChI=1S/C20H14O5/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/h1-10,15,17,21-22H
InChIKeyOTXZLQWRCDOELX-UHFFFAOYSA-N
XLogP3.20
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one?
The IUPAC name of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one (CID 21136555) is 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one.
What is the SMILES notation for 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one?
The canonical SMILES for 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one is O=C1OC2(c3ccc(O)cc3OC3C=C(O)C=CC32)c2ccccc21.
What is the InChIKey of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one?
The InChIKey is OTXZLQWRCDOELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/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/h1-10,15,17,21-22H.
What are the key properties of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one?
3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one has a molecular weight of 334.33 g/mol, XLogP of 3.20, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one is sourced from PubChem (CID 21136555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).