5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

C17H12O4 — CID 71652715

IUPAC5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1cc2c(cc1C)C(=O)C1(OC(=O)c3ccccc31)O2
InChIInChI=1S/C17H12O4/c1-9-7-12-14(8-10(9)2)20-17(15(12)18)13-6-4-3-5-11(13)16(19)21-17/h3-8H,1-2H3
InChIKeyNGVKYIXMNSFOSD-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.90
Rot. Bonds

About 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (PubChem CID 71652715) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.

Molecular Properties

Compound Name5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
PubChem CID71652715
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1cc2c(cc1C)C(=O)C1(OC(=O)c3ccccc31)O2
InChIInChI=1S/C17H12O4/c1-9-7-12-14(8-10(9)2)20-17(15(12)18)13-6-4-3-5-11(13)16(19)21-17/h3-8H,1-2H3
InChIKeyNGVKYIXMNSFOSD-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 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The IUPAC name of 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (CID 71652715) is 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.
What is the SMILES notation for 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The canonical SMILES for 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is Cc1cc2c(cc1C)C(=O)C1(OC(=O)c3ccccc31)O2.
What is the InChIKey of 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The InChIKey is NGVKYIXMNSFOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-9-7-12-14(8-10(9)2)20-17(15(12)18)13-6-4-3-5-11(13)16(19)21-17/h3-8H,1-2H3.
What are the key properties of 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
5,6-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 5,6-dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is sourced from PubChem (CID 71652715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).