5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one

C15H9ClO2S — CID 587313

IUPAC5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
SMILESO=C1OC(c2ccc(Cl)cc2)=CC1=Cc1cccs1
InChIInChI=1S/C15H9ClO2S/c16-12-5-3-10(4-6-12)14-9-11(15(17)18-14)8-13-2-1-7-19-13/h1-9H
InChIKeyMBAMYMLGFNVVCQ-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.38
Rot. Bonds2

About 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one

5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one (PubChem CID 587313) has the molecular formula C15H9ClO2S and a molecular weight of 288.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
PubChem CID587313
Molecular FormulaC15H9ClO2S
Molecular Weight288.76 g/mol
Exact Mass288.00
IUPAC Name5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
SMILESO=C1OC(c2ccc(Cl)cc2)=CC1=Cc1cccs1
InChIInChI=1S/C15H9ClO2S/c16-12-5-3-10(4-6-12)14-9-11(15(17)18-14)8-13-2-1-7-19-13/h1-9H
InChIKeyMBAMYMLGFNVVCQ-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
The IUPAC name of 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one (CID 587313) is 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one is O=C1OC(c2ccc(Cl)cc2)=CC1=Cc1cccs1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
The InChIKey is MBAMYMLGFNVVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2S/c16-12-5-3-10(4-6-12)14-9-11(15(17)18-14)8-13-2-1-7-19-13/h1-9H.
What are the key properties of 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one has a molecular weight of 288.76 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one is sourced from PubChem (CID 587313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).