9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one

C23H22O7 — CID 10476659

IUPAC9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1ccc(-c2c3c(c(OC)c4cc(OC)c(OC)cc24)COC3=O)cc1OC
InChIInChI=1S/C23H22O7/c1-25-16-7-6-12(8-17(16)26-2)20-13-9-18(27-3)19(28-4)10-14(13)22(29-5)15-11-30-23(24)21(15)20/h6-10H,11H2,1-5H3
InChIKeyGQAJQAMRZKZXNJ-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.22
Rot. Bonds6

About 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one

9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one (PubChem CID 10476659) has the molecular formula C23H22O7 and a molecular weight of 410.42 g/mol. Its IUPAC name is 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one.

Molecular Properties

Compound Name9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
PubChem CID10476659
Molecular FormulaC23H22O7
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1ccc(-c2c3c(c(OC)c4cc(OC)c(OC)cc24)COC3=O)cc1OC
InChIInChI=1S/C23H22O7/c1-25-16-7-6-12(8-17(16)26-2)20-13-9-18(27-3)19(28-4)10-14(13)22(29-5)15-11-30-23(24)21(15)20/h6-10H,11H2,1-5H3
InChIKeyGQAJQAMRZKZXNJ-UHFFFAOYSA-N
XLogP4.22
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one 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 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one?
The IUPAC name of 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one (CID 10476659) is 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one.
What is the SMILES notation for 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one?
The canonical SMILES for 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one is COc1ccc(-c2c3c(c(OC)c4cc(OC)c(OC)cc24)COC3=O)cc1OC.
What is the InChIKey of 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one?
The InChIKey is GQAJQAMRZKZXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O7/c1-25-16-7-6-12(8-17(16)26-2)20-13-9-18(27-3)19(28-4)10-14(13)22(29-5)15-11-30-23(24)21(15)20/h6-10H,11H2,1-5H3.
What are the key properties of 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one?
9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one has a molecular weight of 410.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one is sourced from PubChem (CID 10476659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).