7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran

C30H40O8 — CID 100965422

About 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran

7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran (PubChem CID 100965422) has the molecular formula C30H40O8 and a molecular weight of 528.64 g/mol. Its IUPAC name is 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran.

Molecular Properties

• Compound Name: 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran
• PubChem CID: 100965422
• Molecular Formula: C30H40O8
• Molecular Weight: 528.64 g/mol
• Exact Mass: 528.27
• IUPAC Name: 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran
• SMILES: CCOCCOC/C=C/c1cc(OCCOCC)c2oc(-c3ccc(OCCOCC)c(OC)c3)cc2c1
• InChI: InChI=1S/C30H40O8/c1-5-32-13-14-35-12-8-9-23-19-25-22-27(38-30(25)29(20-23)37-18-16-34-7-3)24-10-11-26(28(21-24)31-4)36-17-15-33-6-2/h8-11,19-22H,5-7,12-18H2,1-4H3/b9-8+
• InChIKey: JQOPGZMJEWKHPG-CMDGGOBGSA-N
• XLogP: 6.01
• TPSA: 77.75 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.64
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran?

The IUPAC name of 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran (CID 100965422) is 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran.

What is the SMILES notation for 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran?

The canonical SMILES for 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran is CCOCCOC/C=C/c1cc(OCCOCC)c2oc(-c3ccc(OCCOCC)c(OC)c3)cc2c1.

What is the InChIKey of 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran?

The InChIKey is JQOPGZMJEWKHPG-CMDGGOBGSA-N. The full InChI is InChI=1S/C30H40O8/c1-5-32-13-14-35-12-8-9-23-19-25-22-27(38-30(25)29(20-23)37-18-16-34-7-3)24-10-11-26(28(21-24)31-4)36-17-15-33-6-2/h8-11,19-22H,5-7,12-18H2,1-4H3/b9-8+.

What are the key properties of 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran?

7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran has a molecular weight of 528.64 g/mol, XLogP of 6.01, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-[(E)-3-(2-ethoxyethoxy)prop-1-enyl]-1-benzofuran is sourced from PubChem (CID 100965422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).