5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one

C18H12O2S — CID 127025432

IUPAC5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4ccccc4)s3)ccc21
InChIInChI=1S/C18H12O2S/c19-18-15-7-6-13(10-14(15)11-20-18)17-9-8-16(21-17)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFHXCKAKIBCYHMZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.75
Rot. Bonds2

About 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one

5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one (PubChem CID 127025432) has the molecular formula C18H12O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one
PubChem CID127025432
Molecular FormulaC18H12O2S
Molecular Weight292.36 g/mol
Exact Mass292.06
IUPAC Name5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4ccccc4)s3)ccc21
InChIInChI=1S/C18H12O2S/c19-18-15-7-6-13(10-14(15)11-20-18)17-9-8-16(21-17)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFHXCKAKIBCYHMZ-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one?
The IUPAC name of 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one (CID 127025432) is 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one is O=C1OCc2cc(-c3ccc(-c4ccccc4)s3)ccc21.
What is the InChIKey of 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one?
The InChIKey is FHXCKAKIBCYHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2S/c19-18-15-7-6-13(10-14(15)11-20-18)17-9-8-16(21-17)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one?
5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one has a molecular weight of 292.36 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 127025432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).