3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

C22H16O6 — CID 154937336

IUPAC3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCOCc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C22H16O6/c1-26-11-12-3-2-4-17-20(12)21(25)28-22(17)15-7-5-13(23)9-18(15)27-19-10-14(24)6-8-16(19)22/h2-10,23-24H,11H2,1H3
InChIKeyAMHRPXYTQOUHHV-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.81
Rot. Bonds2

About 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 154937336) has the molecular formula C22H16O6 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID154937336
Molecular FormulaC22H16O6
Molecular Weight376.36 g/mol
Exact Mass376.09
IUPAC Name3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCOCc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C22H16O6/c1-26-11-12-3-2-4-17-20(12)21(25)28-22(17)15-7-5-13(23)9-18(15)27-19-10-14(24)6-8-16(19)22/h2-10,23-24H,11H2,1H3
InChIKeyAMHRPXYTQOUHHV-UHFFFAOYSA-N
XLogP3.81
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 154937336) is 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one is COCc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.
What is the InChIKey of 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is AMHRPXYTQOUHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O6/c1-26-11-12-3-2-4-17-20(12)21(25)28-22(17)15-7-5-13(23)9-18(15)27-19-10-14(24)6-8-16(19)22/h2-10,23-24H,11H2,1H3.
What are the key properties of 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 376.36 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 154937336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).