4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one

C14H10O3S — CID 102167920

IUPAC4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one
SMILESO=C1OC(c2cccs2)C(c2ccccc2)=C1O
InChIInChI=1S/C14H10O3S/c15-12-11(9-5-2-1-3-6-9)13(17-14(12)16)10-7-4-8-18-10/h1-8,13,15H
InChIKeyIYOZRTVEEOUVRM-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.32
Rot. Bonds2

About 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one

4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one (PubChem CID 102167920) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one
PubChem CID102167920
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Name4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one
SMILESO=C1OC(c2cccs2)C(c2ccccc2)=C1O
InChIInChI=1S/C14H10O3S/c15-12-11(9-5-2-1-3-6-9)13(17-14(12)16)10-7-4-8-18-10/h1-8,13,15H
InChIKeyIYOZRTVEEOUVRM-UHFFFAOYSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one?
The IUPAC name of 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one (CID 102167920) is 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one?
The canonical SMILES for 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one is O=C1OC(c2cccs2)C(c2ccccc2)=C1O.
What is the InChIKey of 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one?
The InChIKey is IYOZRTVEEOUVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c15-12-11(9-5-2-1-3-6-9)13(17-14(12)16)10-7-4-8-18-10/h1-8,13,15H.
What are the key properties of 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one?
4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one has a molecular weight of 258.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one is sourced from PubChem (CID 102167920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).