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

C27H26O8 — CID 71825599

IUPAC1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone
SMILESCOc1ccc(C(=O)COc2ccc3occ(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1OC
InChIInChI=1S/C27H26O8/c1-29-23-8-6-16(10-24(23)30-2)21(28)15-34-18-7-9-22-19(13-18)20(14-35-22)17-11-25(31-3)27(33-5)26(12-17)32-4/h6-14H,15H2,1-5H3
InChIKeyHCPWRTXKIJGINP-UHFFFAOYSA-N
MW478.50 g/mol
LogP5.40
Rot. Bonds10

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

1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone (PubChem CID 71825599) has the molecular formula C27H26O8 and a molecular weight of 478.50 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone
PubChem CID71825599
Molecular FormulaC27H26O8
Molecular Weight478.50 g/mol
Exact Mass478.16
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone
SMILESCOc1ccc(C(=O)COc2ccc3occ(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1OC
InChIInChI=1S/C27H26O8/c1-29-23-8-6-16(10-24(23)30-2)21(28)15-34-18-7-9-22-19(13-18)20(14-35-22)17-11-25(31-3)27(33-5)26(12-17)32-4/h6-14H,15H2,1-5H3
InChIKeyHCPWRTXKIJGINP-UHFFFAOYSA-N
XLogP5.40
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone
CID 90489402
2-[[3-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]acetamide
CID 91637457
5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
CID 75464734
3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran
CID 163088099
3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
CID 2032343
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
7-[2-(4-chlorophenyl)-2-oxoethoxy]-3-(3,4-dimethoxyphenyl)-4-methylchromen-2-one
CID 44963485
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678570
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3785166
3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one
CID 41118369
3-(3,4-dimethoxyphenyl)-4-methyl-6-(2-oxopropoxy)chromen-2-one
CID 7198745
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone (CID 71825599) is 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone is COc1ccc(C(=O)COc2ccc3occ(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone?
The InChIKey is HCPWRTXKIJGINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O8/c1-29-23-8-6-16(10-24(23)30-2)21(28)15-34-18-7-9-22-19(13-18)20(14-35-22)17-11-25(31-3)27(33-5)26(12-17)32-4/h6-14H,15H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone?
1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone has a molecular weight of 478.50 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone is sourced from PubChem (CID 71825599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).