(E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one

C15H9ClO2S — CID 27105737

IUPAC(E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H9ClO2S/c16-11-3-6-14-10(8-11)9-15(18-14)13(17)5-4-12-2-1-7-19-12/h1-9H/b5-4+
InChIKeyGKGRGPQHAVAORO-SNAWJCMRSA-N
MW288.75 g/mol
LogP5.04
Rot. Bonds3

About (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one

(E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 27105737) has the molecular formula C15H9ClO2S and a molecular weight of 288.75 g/mol. Its IUPAC name is (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID27105737
Molecular FormulaC15H9ClO2S
Molecular Weight288.75 g/mol
Exact Mass288.00
IUPAC Name(E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H9ClO2S/c16-11-3-6-14-10(8-11)9-15(18-14)13(17)5-4-12-2-1-7-19-12/h1-9H/b5-4+
InChIKeyGKGRGPQHAVAORO-SNAWJCMRSA-N
XLogP5.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.75
LogP ≤ 55.04
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

4-(5-chloro-1-benzofuran-2-yl)-4-oxobut-2-enoic acid
CID 131881356
1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one
CID 75921748
(E)-1-(1-benzofuran-2-yl)-3-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 11587472
5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 31834551
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
(E)-1-(5-bromo-1-benzofuran-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
CID 166225100
5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9138749
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 22306140
(E)-1-(3,5-dihydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 74983119
(E)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-thiophen-2-ylprop-2-enamide
CID 42921909
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one (CID 27105737) is (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is GKGRGPQHAVAORO-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H9ClO2S/c16-11-3-6-14-10(8-11)9-15(18-14)13(17)5-4-12-2-1-7-19-12/h1-9H/b5-4+.
What are the key properties of (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 288.75 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 27105737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).