5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one

C18H12O3S — CID 127027613

IUPAC5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4ccc(O)cc4)s3)ccc21
InChIInChI=1S/C18H12O3S/c19-14-4-1-11(2-5-14)16-7-8-17(22-16)12-3-6-15-13(9-12)10-21-18(15)20/h1-9,19H,10H2
InChIKeyCKXJZQNGRVBGAP-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.46
Rot. Bonds2

About 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one

5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one (PubChem CID 127027613) has the molecular formula C18H12O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
PubChem CID127027613
Molecular FormulaC18H12O3S
Molecular Weight308.36 g/mol
Exact Mass308.05
IUPAC Name5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4ccc(O)cc4)s3)ccc21
InChIInChI=1S/C18H12O3S/c19-14-4-1-11(2-5-14)16-7-8-17(22-16)12-3-6-15-13(9-12)10-21-18(15)20/h1-9,19H,10H2
InChIKeyCKXJZQNGRVBGAP-UHFFFAOYSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one (CID 127027613) is 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one is O=C1OCc2cc(-c3ccc(-c4ccc(O)cc4)s3)ccc21.
What is the InChIKey of 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The InChIKey is CKXJZQNGRVBGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3S/c19-14-4-1-11(2-5-14)16-7-8-17(22-16)12-3-6-15-13(9-12)10-21-18(15)20/h1-9,19H,10H2.
What are the key properties of 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one?
5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one has a molecular weight of 308.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 127027613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).