5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran

C19H20O3 — CID 10214897

IUPAC5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
SMILESCCCc1cc(OC)cc2cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C19H20O3/c1-4-5-14-10-17(21-3)11-15-12-18(22-19(14)15)13-6-8-16(20-2)9-7-13/h6-12H,4-5H2,1-3H3
InChIKeyZBCRXLREJCXXRM-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.07
Rot. Bonds5

About 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran

5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran (PubChem CID 10214897) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
PubChem CID10214897
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
SMILESCCCc1cc(OC)cc2cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C19H20O3/c1-4-5-14-10-17(21-3)11-15-12-18(22-19(14)15)13-6-8-16(20-2)9-7-13/h6-12H,4-5H2,1-3H3
InChIKeyZBCRXLREJCXXRM-UHFFFAOYSA-N
XLogP5.07
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran (CID 10214897) is 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran is CCCc1cc(OC)cc2cc(-c3ccc(OC)cc3)oc12.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran?
The InChIKey is ZBCRXLREJCXXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-4-5-14-10-17(21-3)11-15-12-18(22-19(14)15)13-6-8-16(20-2)9-7-13/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran?
5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran has a molecular weight of 296.37 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran is sourced from PubChem (CID 10214897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).