3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran

C20H16O3 — CID 45482677

IUPAC3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran
SMILESCOc1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1
InChIInChI=1S/C20H16O3/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(21-2)8-5-14/h3-12H,1-2H3
InChIKeyRHVZNDSIRXZLID-UHFFFAOYSA-N
MW304.35 g/mol
LogP5.68
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran

3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran (PubChem CID 45482677) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran
PubChem CID45482677
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran
SMILESCOc1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1
InChIInChI=1S/C20H16O3/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(21-2)8-5-14/h3-12H,1-2H3
InChIKeyRHVZNDSIRXZLID-UHFFFAOYSA-N
XLogP5.68
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran?
The IUPAC name of 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran (CID 45482677) is 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran is COc1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran?
The InChIKey is RHVZNDSIRXZLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(21-2)8-5-14/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran?
3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran has a molecular weight of 304.35 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran is sourced from PubChem (CID 45482677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).