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

C22H14O6 — CID 67395441

IUPAC7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCC(=O)c1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C22H14O6/c1-11(23)14-3-2-4-17-20(14)21(26)28-22(17)15-7-5-12(24)9-18(15)27-19-10-13(25)6-8-16(19)22/h2-10,24-25H,1H3
InChIKeyADVNJZJLJDWFKF-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.87
Rot. Bonds1

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

7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 67395441) has the molecular formula C22H14O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID67395441
Molecular FormulaC22H14O6
Molecular Weight374.35 g/mol
Exact Mass374.08
IUPAC Name7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCC(=O)c1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C22H14O6/c1-11(23)14-3-2-4-17-20(14)21(26)28-22(17)15-7-5-12(24)9-18(15)27-19-10-13(25)6-8-16(19)22/h2-10,24-25H,1H3
InChIKeyADVNJZJLJDWFKF-UHFFFAOYSA-N
XLogP3.87
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2S)-2-aminopropanoyl]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 90756649
7-(2-aminoacetyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 90302910
CID 87130951
CID 87130951
CID 57106395
CID 57106395
N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)-2-methylprop-2-enamide
CID 22098048
3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 154937336
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
6,7-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 22476663
7-(ethylaminomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18961660
6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 118368085
7-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 23432586
2-bromo-N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)acetamide
CID 18408292

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 67395441) is 7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one is CC(=O)c1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.
What is the InChIKey of 7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is ADVNJZJLJDWFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O6/c1-11(23)14-3-2-4-17-20(14)21(26)28-22(17)15-7-5-12(24)9-18(15)27-19-10-13(25)6-8-16(19)22/h2-10,24-25H,1H3.
What are the key properties of 7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 374.35 g/mol, XLogP of 3.87, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 67395441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).