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

C20H10F2O5 — CID 22476663

IUPAC6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESO=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(F)c(F)c21
InChIInChI=1S/C20H10F2O5/c21-14-6-5-13-17(18(14)22)19(25)27-20(13)11-3-1-9(23)7-15(11)26-16-8-10(24)2-4-12(16)20/h1-8,23-24H
InChIKeyWPZRUHZNUDOAPE-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.94
Rot. Bonds

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

6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 22476663) has the molecular formula C20H10F2O5 and a molecular weight of 368.29 g/mol. Its IUPAC name is 6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID22476663
Molecular FormulaC20H10F2O5
Molecular Weight368.29 g/mol
Exact Mass368.05
IUPAC Name6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESO=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(F)c(F)c21
InChIInChI=1S/C20H10F2O5/c21-14-6-5-13-17(18(14)22)19(25)27-20(13)11-3-1-9(23)7-15(11)26-16-8-10(24)2-4-12(16)20/h1-8,23-24H
InChIKeyWPZRUHZNUDOAPE-UHFFFAOYSA-N
XLogP3.94
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-difluoro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbaldehyde
CID 90891102
CID 87130951
CID 87130951
CID 57106395
CID 57106395
7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 67395441
6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 118368085
3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 154937336
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 23432586
7-(2-aminoacetyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 90302910
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967
7-(1-aminoprop-2-enyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 68571230
1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)-1-hydroxypyrrolidin-1-ium-2,5-dione
CID 21259887

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 22476663) is 6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one is O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is WPZRUHZNUDOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F2O5/c21-14-6-5-13-17(18(14)22)19(25)27-20(13)11-3-1-9(23)7-15(11)26-16-8-10(24)2-4-12(16)20/h1-8,23-24H.
What are the key properties of 6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 368.29 g/mol, XLogP of 3.94, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 22476663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).