1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone

C28H26O9 — CID 90489402

IUPAC1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone
SMILESCOc1ccc(C(=O)COc2ccc3occ(C(=O)c4cc(OC)c(OC)c(OC)c4)c3c2)cc1OC
InChIInChI=1S/C28H26O9/c1-31-23-8-6-16(10-24(23)32-2)21(29)15-36-18-7-9-22-19(13-18)20(14-37-22)27(30)17-11-25(33-3)28(35-5)26(12-17)34-4/h6-14H,15H2,1-5H3
InChIKeyXZVJXXIMVKJLED-UHFFFAOYSA-N
MW506.51 g/mol
LogP4.97
Rot. Bonds11

About 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone

1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone (PubChem CID 90489402) has the molecular formula C28H26O9 and a molecular weight of 506.51 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone
PubChem CID90489402
Molecular FormulaC28H26O9
Molecular Weight506.51 g/mol
Exact Mass506.16
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone
SMILESCOc1ccc(C(=O)COc2ccc3occ(C(=O)c4cc(OC)c(OC)c(OC)c4)c3c2)cc1OC
InChIInChI=1S/C28H26O9/c1-31-23-8-6-16(10-24(23)32-2)21(29)15-36-18-7-9-22-19(13-18)20(14-37-22)27(30)17-11-25(33-3)28(35-5)26(12-17)34-4/h6-14H,15H2,1-5H3
InChIKeyXZVJXXIMVKJLED-UHFFFAOYSA-N
XLogP4.97
TPSA102.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.51
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone
CID 71825599
N-(1,1-dioxothiolan-3-yl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide
CID 91901492
N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide
CID 90489438
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[3-(4-methylsulfanylbenzoyl)-1-benzofuran-5-yl]oxy]ethanone
CID 90489398
[5-[(3-fluorophenyl)methoxy]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 91938912
N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide
CID 71830426
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone
CID 43612267
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678570
dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 66645277

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone (CID 90489402) is 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone is COc1ccc(C(=O)COc2ccc3occ(C(=O)c4cc(OC)c(OC)c(OC)c4)c3c2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone?
The InChIKey is XZVJXXIMVKJLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O9/c1-31-23-8-6-16(10-24(23)32-2)21(29)15-36-18-7-9-22-19(13-18)20(14-37-22)27(30)17-11-25(33-3)28(35-5)26(12-17)34-4/h6-14H,15H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone?
1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone has a molecular weight of 506.51 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone is sourced from PubChem (CID 90489402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).