4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

C17H12O4 — CID 71653029

IUPAC4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1ccc(C)c2c1OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C17H12O4/c1-9-7-8-10(2)14-13(9)15(18)17(20-14)12-6-4-3-5-11(12)16(19)21-17/h3-8H,1-2H3
InChIKeyKKMAPEHSILYSNX-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.90
Rot. Bonds

About 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (PubChem CID 71653029) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.

Molecular Properties

Compound Name4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
PubChem CID71653029
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1ccc(C)c2c1OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C17H12O4/c1-9-7-8-10(2)14-13(9)15(18)17(20-14)12-6-4-3-5-11(12)16(19)21-17/h3-8H,1-2H3
InChIKeyKKMAPEHSILYSNX-UHFFFAOYSA-N
XLogP2.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The IUPAC name of 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (CID 71653029) is 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.
What is the SMILES notation for 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The canonical SMILES for 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is Cc1ccc(C)c2c1OC1(OC(=O)c3ccccc31)C2=O.
What is the InChIKey of 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The InChIKey is KKMAPEHSILYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-9-7-8-10(2)14-13(9)15(18)17(20-14)12-6-4-3-5-11(12)16(19)21-17/h3-8H,1-2H3.
What are the key properties of 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione has a molecular weight of 280.28 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is sourced from PubChem (CID 71653029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).