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

C24H20O5 — CID 118368085

IUPAC6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCc1ccc2c(c1CC)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C24H20O5/c1-3-13-5-8-19-22(16(13)4-2)23(27)29-24(19)17-9-6-14(25)11-20(17)28-21-12-15(26)7-10-18(21)24/h5-12,25-26H,3-4H2,1-2H3
InChIKeyPEPLMIJVEKEKKT-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.79
Rot. Bonds2

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

6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 118368085) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID118368085
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCc1ccc2c(c1CC)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIInChI=1S/C24H20O5/c1-3-13-5-8-19-22(16(13)4-2)23(27)29-24(19)17-9-6-14(25)11-20(17)28-21-12-15(26)7-10-18(21)24/h5-12,25-26H,3-4H2,1-2H3
InChIKeyPEPLMIJVEKEKKT-UHFFFAOYSA-N
XLogP4.79
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 118368085) is 6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one is CCc1ccc2c(c1CC)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.
What is the InChIKey of 6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is PEPLMIJVEKEKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c1-3-13-5-8-19-22(16(13)4-2)23(27)29-24(19)17-9-6-14(25)11-20(17)28-21-12-15(26)7-10-18(21)24/h5-12,25-26H,3-4H2,1-2H3.
What are the key properties of 6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 388.42 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 118368085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).