(E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one

C15H13ClOS — CID 160614404

IUPAC(E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one
SMILESO=C(C/C=C/c1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C15H13ClOS/c16-15-9-2-1-5-12(15)11-13(17)6-3-7-14-8-4-10-18-14/h1-5,7-10H,6,11H2/b7-3+
InChIKeyRFXANLMQFHXEPF-XVNBXDOJSA-N
MW276.79 g/mol
LogP4.62
Rot. Bonds5

About (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one

(E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one (PubChem CID 160614404) has the molecular formula C15H13ClOS and a molecular weight of 276.79 g/mol. Its IUPAC name is (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one.

Molecular Properties

Compound Name(E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one
PubChem CID160614404
Molecular FormulaC15H13ClOS
Molecular Weight276.79 g/mol
Exact Mass276.04
IUPAC Name(E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one
SMILESO=C(C/C=C/c1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C15H13ClOS/c16-15-9-2-1-5-12(15)11-13(17)6-3-7-14-8-4-10-18-14/h1-5,7-10H,6,11H2/b7-3+
InChIKeyRFXANLMQFHXEPF-XVNBXDOJSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-oxo-5-thiophen-2-ylpent-4-enyl]benzonitrile
CID 147542409
(E)-1-[4-nitro-3-(trifluoromethyl)phenyl]-5-thiophen-2-ylpent-4-en-2-one
CID 159636095
2-(4-chlorobut-1-enyl)thiophene
CID 79002392
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565
S-[(E)-3-thiophen-2-ylprop-2-enyl] ethanethioate
CID 71663485
1-(2-chlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62621400
[(E)-3-thiophen-2-ylprop-2-enyl] acetate
CID 11298325
5-(2-chlorophenyl)-4-oxopentanoic acid
CID 66338254
(E)-2-thiophen-2-ylethenol
CID 89297537
N-[[(2-chlorobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5208024
2-(2-chlorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709213
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one?
The IUPAC name of (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one (CID 160614404) is (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one.
What is the SMILES notation for (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one?
The canonical SMILES for (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one is O=C(C/C=C/c1cccs1)Cc1ccccc1Cl.
What is the InChIKey of (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one?
The InChIKey is RFXANLMQFHXEPF-XVNBXDOJSA-N. The full InChI is InChI=1S/C15H13ClOS/c16-15-9-2-1-5-12(15)11-13(17)6-3-7-14-8-4-10-18-14/h1-5,7-10H,6,11H2/b7-3+.
What are the key properties of (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one?
(E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one has a molecular weight of 276.79 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chlorophenyl)-5-thiophen-2-ylpent-4-en-2-one is sourced from PubChem (CID 160614404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).