1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone

C32H38O10 — CID 11585075

IUPAC1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone
SMILESCCOc1c(C(C)=O)c(OCCCCCCOc2c(C(C)=O)c(OCC)c3ccoc3c2OC)c(OC)c2occc12
InChIInChI=1S/C32H38O10/c1-7-37-25-21-13-17-41-27(21)31(35-5)29(23(25)19(3)33)39-15-11-9-10-12-16-40-30-24(20(4)34)26(38-8-2)22-14-18-42-28(22)32(30)36-6/h13-14,17-18H,7-12,15-16H2,1-6H3
InChIKeyNSGVYWGJBZPVKA-UHFFFAOYSA-N
MW582.65 g/mol
LogP7.42
Rot. Bonds17

About 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone

1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone (PubChem CID 11585075) has the molecular formula C32H38O10 and a molecular weight of 582.65 g/mol. Its IUPAC name is 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone
PubChem CID11585075
Molecular FormulaC32H38O10
Molecular Weight582.65 g/mol
Exact Mass582.25
IUPAC Name1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone
SMILESCCOc1c(C(C)=O)c(OCCCCCCOc2c(C(C)=O)c(OCC)c3ccoc3c2OC)c(OC)c2occc12
InChIInChI=1S/C32H38O10/c1-7-37-25-21-13-17-41-27(21)31(35-5)29(23(25)19(3)33)39-15-11-9-10-12-16-40-30-24(20(4)34)26(38-8-2)22-14-18-42-28(22)32(30)36-6/h13-14,17-18H,7-12,15-16H2,1-6H3
InChIKeyNSGVYWGJBZPVKA-UHFFFAOYSA-N
XLogP7.42
TPSA115.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.65
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone 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 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone (CID 11585075) is 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone is CCOc1c(C(C)=O)c(OCCCCCCOc2c(C(C)=O)c(OCC)c3ccoc3c2OC)c(OC)c2occc12.
What is the InChIKey of 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone?
The InChIKey is NSGVYWGJBZPVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O10/c1-7-37-25-21-13-17-41-27(21)31(35-5)29(23(25)19(3)33)39-15-11-9-10-12-16-40-30-24(20(4)34)26(38-8-2)22-14-18-42-28(22)32(30)36-6/h13-14,17-18H,7-12,15-16H2,1-6H3.
What are the key properties of 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone?
1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone has a molecular weight of 582.65 g/mol, XLogP of 7.42, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[(5-acetyl-4-ethoxy-7-methoxy-1-benzofuran-6-yl)oxy]hexoxy]-4-ethoxy-7-methoxy-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 11585075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).