2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran

C20H22O4 — CID 24764491

IUPAC2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran
SMILESCOCCCc1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C20H22O4/c1-21-10-4-5-14-6-8-17-16(11-14)13-19(24-17)15-7-9-18(22-2)20(12-15)23-3/h6-9,11-13H,4-5,10H2,1-3H3
InChIKeyCUEPJIGXQLIOIK-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.70
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran

2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran (PubChem CID 24764491) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran
PubChem CID24764491
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran
SMILESCOCCCc1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C20H22O4/c1-21-10-4-5-14-6-8-17-16(11-14)13-19(24-17)15-7-9-18(22-2)20(12-15)23-3/h6-9,11-13H,4-5,10H2,1-3H3
InChIKeyCUEPJIGXQLIOIK-UHFFFAOYSA-N
XLogP4.70
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran (CID 24764491) is 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran is COCCCc1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran?
The InChIKey is CUEPJIGXQLIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-21-10-4-5-14-6-8-17-16(11-14)13-19(24-17)15-7-9-18(22-2)20(12-15)23-3/h6-9,11-13H,4-5,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran?
2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran has a molecular weight of 326.39 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran is sourced from PubChem (CID 24764491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).