4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

C18H14O4 — CID 71653031

IUPAC4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1cc2c(c(C)c1C)C(=O)C1(OC(=O)c3ccccc31)O2
InChIInChI=1S/C18H14O4/c1-9-8-14-15(11(3)10(9)2)16(19)18(21-14)13-7-5-4-6-12(13)17(20)22-18/h4-8H,1-3H3
InChIKeyPSDSELOBHMYOBO-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.21
Rot. Bonds

About 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (PubChem CID 71653031) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.

Molecular Properties

Compound Name4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
PubChem CID71653031
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1cc2c(c(C)c1C)C(=O)C1(OC(=O)c3ccccc31)O2
InChIInChI=1S/C18H14O4/c1-9-8-14-15(11(3)10(9)2)16(19)18(21-14)13-7-5-4-6-12(13)17(20)22-18/h4-8H,1-3H3
InChIKeyPSDSELOBHMYOBO-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

Analyze 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The IUPAC name of 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (CID 71653031) is 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.
What is the SMILES notation for 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The canonical SMILES for 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is Cc1cc2c(c(C)c1C)C(=O)C1(OC(=O)c3ccccc31)O2.
What is the InChIKey of 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The InChIKey is PSDSELOBHMYOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-9-8-14-15(11(3)10(9)2)16(19)18(21-14)13-7-5-4-6-12(13)17(20)22-18/h4-8H,1-3H3.
What are the key properties of 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
4,5,6-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 4,5,6-trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is sourced from PubChem (CID 71653031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).