3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one

C15H11ClO2S — CID 71072579

IUPAC3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one
SMILESCC1OC(=O)C(c2cccs2)=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO2S/c1-9-13(10-4-6-11(16)7-5-10)14(15(17)18-9)12-3-2-8-19-12/h2-9H,1H3
InChIKeyHJQMZRAIWOSXLS-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.26
Rot. Bonds2

About 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one

3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one (PubChem CID 71072579) has the molecular formula C15H11ClO2S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one
PubChem CID71072579
Molecular FormulaC15H11ClO2S
Molecular Weight290.77 g/mol
Exact Mass290.02
IUPAC Name3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one
SMILESCC1OC(=O)C(c2cccs2)=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO2S/c1-9-13(10-4-6-11(16)7-5-10)14(15(17)18-9)12-3-2-8-19-12/h2-9H,1H3
InChIKeyHJQMZRAIWOSXLS-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one (CID 71072579) is 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one is CC1OC(=O)C(c2cccs2)=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one?
The InChIKey is HJQMZRAIWOSXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2S/c1-9-13(10-4-6-11(16)7-5-10)14(15(17)18-9)12-3-2-8-19-12/h2-9H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one?
3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one has a molecular weight of 290.77 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-4-thiophen-2-yl-2H-furan-5-one is sourced from PubChem (CID 71072579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).