6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

C17H12O4 — CID 71652876

IUPAC6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCCc1ccc2c(c1)OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C17H12O4/c1-2-10-7-8-12-14(9-10)20-17(15(12)18)13-6-4-3-5-11(13)16(19)21-17/h3-9H,2H2,1H3
InChIKeyFEHGYSQQDBWUGQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.85
Rot. Bonds1

About 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (PubChem CID 71652876) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.

Molecular Properties

Compound Name6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
PubChem CID71652876
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCCc1ccc2c(c1)OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C17H12O4/c1-2-10-7-8-12-14(9-10)20-17(15(12)18)13-6-4-3-5-11(13)16(19)21-17/h3-9H,2H2,1H3
InChIKeyFEHGYSQQDBWUGQ-UHFFFAOYSA-N
XLogP2.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The IUPAC name of 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (CID 71652876) is 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.
What is the SMILES notation for 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The canonical SMILES for 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is CCc1ccc2c(c1)OC1(OC(=O)c3ccccc31)C2=O.
What is the InChIKey of 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The InChIKey is FEHGYSQQDBWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-2-10-7-8-12-14(9-10)20-17(15(12)18)13-6-4-3-5-11(13)16(19)21-17/h3-9H,2H2,1H3.
What are the key properties of 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione has a molecular weight of 280.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is sourced from PubChem (CID 71652876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).