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

C15H11ClOS — CID 160522220

IUPAC3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan
SMILESC=C1OCC(c2ccc(Cl)cc2)=C1c1cccs1
InChIInChI=1S/C15H11ClOS/c1-10-15(14-3-2-8-18-14)13(9-17-10)11-4-6-12(16)7-5-11/h2-8H,1,9H2
InChIKeyFYJGVAWEMSMBIH-UHFFFAOYSA-N
MW274.77 g/mol
LogP4.86
Rot. Bonds2

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

3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan (PubChem CID 160522220) has the molecular formula C15H11ClOS and a molecular weight of 274.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan
PubChem CID160522220
Molecular FormulaC15H11ClOS
Molecular Weight274.77 g/mol
Exact Mass274.02
IUPAC Name3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan
SMILESC=C1OCC(c2ccc(Cl)cc2)=C1c1cccs1
InChIInChI=1S/C15H11ClOS/c1-10-15(14-3-2-8-18-14)13(9-17-10)11-4-6-12(16)7-5-11/h2-8H,1,9H2
InChIKeyFYJGVAWEMSMBIH-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan?
The IUPAC name of 3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan (CID 160522220) is 3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan?
The canonical SMILES for 3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan is C=C1OCC(c2ccc(Cl)cc2)=C1c1cccs1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan?
The InChIKey is FYJGVAWEMSMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClOS/c1-10-15(14-3-2-8-18-14)13(9-17-10)11-4-6-12(16)7-5-11/h2-8H,1,9H2.
What are the key properties of 3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan?
3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan has a molecular weight of 274.77 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methylidene-4-thiophen-2-yl-2H-furan is sourced from PubChem (CID 160522220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).