(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one

C17H11ClO2S — CID 5344040

IUPAC(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccs1
InChIInChI=1S/C17H11ClO2S/c18-13-4-1-3-12(11-13)16-9-7-14(20-16)6-8-15(19)17-5-2-10-21-17/h1-11H/b8-6+
InChIKeyYUDCWXUALNODNN-SOFGYWHQSA-N
MW314.79 g/mol
LogP5.56
Rot. Bonds4

About (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one

(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 5344040) has the molecular formula C17H11ClO2S and a molecular weight of 314.79 g/mol. Its IUPAC name is (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
PubChem CID5344040
Molecular FormulaC17H11ClO2S
Molecular Weight314.79 g/mol
Exact Mass314.02
IUPAC Name(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccs1
InChIInChI=1S/C17H11ClO2S/c18-13-4-1-3-12(11-13)16-9-7-14(20-16)6-8-15(19)17-5-2-10-21-17/h1-11H/b8-6+
InChIKeyYUDCWXUALNODNN-SOFGYWHQSA-N
XLogP5.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.79
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(5-benzylthiophen-2-yl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one
CID 19561383
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 18830570
3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 2892037
ethyl 4-[5-(3-oxo-3-thiophen-2-ylprop-1-enyl)furan-2-yl]benzoate
CID 4736129
N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 4655342
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736275
(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828761
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5349050
(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828764
(E)-3-[5-[(2-chlorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544697
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one (CID 5344040) is (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccs1.
What is the InChIKey of (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is YUDCWXUALNODNN-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H11ClO2S/c18-13-4-1-3-12(11-13)16-9-7-14(20-16)6-8-15(19)17-5-2-10-21-17/h1-11H/b8-6+.
What are the key properties of (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 314.79 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5344040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).