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

C19H14O2S — CID 24746764

IUPAC5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
SMILESCOc1ccc(-c2ccc3oc(-c4ccsc4)cc3c2)cc1
InChIInChI=1S/C19H14O2S/c1-20-17-5-2-13(3-6-17)14-4-7-18-16(10-14)11-19(21-18)15-8-9-22-12-15/h2-12H,1H3
InChIKeyKOERMXSODXEWKJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP5.84
Rot. Bonds3

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

5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran (PubChem CID 24746764) has the molecular formula C19H14O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
PubChem CID24746764
Molecular FormulaC19H14O2S
Molecular Weight306.39 g/mol
Exact Mass306.07
IUPAC Name5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
SMILESCOc1ccc(-c2ccc3oc(-c4ccsc4)cc3c2)cc1
InChIInChI=1S/C19H14O2S/c1-20-17-5-2-13(3-6-17)14-4-7-18-16(10-14)11-19(21-18)15-8-9-22-12-15/h2-12H,1H3
InChIKeyKOERMXSODXEWKJ-UHFFFAOYSA-N
XLogP5.84
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran?
The IUPAC name of 5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran (CID 24746764) is 5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran?
The canonical SMILES for 5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran is COc1ccc(-c2ccc3oc(-c4ccsc4)cc3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran?
The InChIKey is KOERMXSODXEWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2S/c1-20-17-5-2-13(3-6-17)14-4-7-18-16(10-14)11-19(21-18)15-8-9-22-12-15/h2-12H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran?
5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran has a molecular weight of 306.39 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran is sourced from PubChem (CID 24746764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).