4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

C18H14O4 — CID 71653032

IUPAC4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1cc(C)c2c(c1C)OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C18H14O4/c1-9-8-10(2)14-15(11(9)3)21-18(16(14)19)13-7-5-4-6-12(13)17(20)22-18/h4-8H,1-3H3
InChIKeyYNEMZXRPUIJFDT-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.21
Rot. Bonds

About 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (PubChem CID 71653032) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.

Molecular Properties

Compound Name4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
PubChem CID71653032
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1cc(C)c2c(c1C)OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C18H14O4/c1-9-8-10(2)14-15(11(9)3)21-18(16(14)19)13-7-5-4-6-12(13)17(20)22-18/h4-8H,1-3H3
InChIKeyYNEMZXRPUIJFDT-UHFFFAOYSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The IUPAC name of 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (CID 71653032) is 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.
What is the SMILES notation for 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The canonical SMILES for 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is Cc1cc(C)c2c(c1C)OC1(OC(=O)c3ccccc31)C2=O.
What is the InChIKey of 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The InChIKey is YNEMZXRPUIJFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-9-8-10(2)14-15(11(9)3)21-18(16(14)19)13-7-5-4-6-12(13)17(20)22-18/h4-8H,1-3H3.
What are the key properties of 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione has a molecular weight of 294.31 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is sourced from PubChem (CID 71653032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).