sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride

C22H19NaO6 — CID 175533354

IUPACsodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
SMILESCCO.O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.[H-].[Na+]
InChIInChI=1S/C20H12O5.C2H6O.Na.H/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;1-2-3;;/h1-10,21-22H;3H,2H2,1H3;;/q;;+1;-1
InChIKeyCUXNJBGWENXVRM-UHFFFAOYSA-N
MW402.38 g/mol
LogP0.78
Rot. Bonds

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

sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride (PubChem CID 175533354) has the molecular formula C22H19NaO6 and a molecular weight of 402.38 g/mol. Its IUPAC name is sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride.

Molecular Properties

Compound Namesodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
PubChem CID175533354
Molecular FormulaC22H19NaO6
Molecular Weight402.38 g/mol
Exact Mass402.11
IUPAC Namesodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
SMILESCCO.O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.[H-].[Na+]
InChIInChI=1S/C20H12O5.C2H6O.Na.H/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;1-2-3;;/h1-10,21-22H;3H,2H2,1H3;;/q;;+1;-1
InChIKeyCUXNJBGWENXVRM-UHFFFAOYSA-N
XLogP0.78
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethane;methane;propane
CID 164984013
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;2-phenylethylbenzene
CID 68989148
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;diphenylmethanone
CID 68707787
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;tetradecanoic acid
CID 89438548
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N-isothiocyanato-1-sulfanylidenemethanimine
CID 134495246

Frequently Asked Questions

What is the IUPAC name of sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride?
The IUPAC name of sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride (CID 175533354) is sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride.
What is the SMILES notation for sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride?
The canonical SMILES for sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride is CCO.O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.[H-].[Na+].
What is the InChIKey of sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride?
The InChIKey is CUXNJBGWENXVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O5.C2H6O.Na.H/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;1-2-3;;/h1-10,21-22H;3H,2H2,1H3;;/q;;+1;-1.
What are the key properties of sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride?
sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride has a molecular weight of 402.38 g/mol, XLogP of 0.78, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride is sourced from PubChem (CID 175533354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).