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

C19H14O3S — CID 127027608

IUPAC5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
SMILESCOc1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1
InChIInChI=1S/C19H14O3S/c1-21-15-4-2-3-12(10-15)17-7-8-18(23-17)13-5-6-16-14(9-13)11-22-19(16)20/h2-10H,11H2,1H3
InChIKeyWWDZZGXYQBFRFI-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.76
Rot. Bonds3

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

5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one (PubChem CID 127027608) has the molecular formula C19H14O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
PubChem CID127027608
Molecular FormulaC19H14O3S
Molecular Weight322.39 g/mol
Exact Mass322.07
IUPAC Name5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
SMILESCOc1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1
InChIInChI=1S/C19H14O3S/c1-21-15-4-2-3-12(10-15)17-7-8-18(23-17)13-5-6-16-14(9-13)11-22-19(16)20/h2-10H,11H2,1H3
InChIKeyWWDZZGXYQBFRFI-UHFFFAOYSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one (CID 127027608) is 5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one is COc1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1.
What is the InChIKey of 5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The InChIKey is WWDZZGXYQBFRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3S/c1-21-15-4-2-3-12(10-15)17-7-8-18(23-17)13-5-6-16-14(9-13)11-22-19(16)20/h2-10H,11H2,1H3.
What are the key properties of 5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one?
5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one has a molecular weight of 322.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 127027608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).