1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone

C14H11ClOS — CID 174501401

IUPAC1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C=Cc2cccc(Cl)c2)cs1
InChIInChI=1S/C14H11ClOS/c1-10(16)14-8-12(9-17-14)6-5-11-3-2-4-13(15)7-11/h2-9H,1H3
InChIKeyONPWMKXOSZFSGE-UHFFFAOYSA-N
MW262.76 g/mol
LogP4.77
Rot. Bonds3

About 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone

1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone (PubChem CID 174501401) has the molecular formula C14H11ClOS and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone
PubChem CID174501401
Molecular FormulaC14H11ClOS
Molecular Weight262.76 g/mol
Exact Mass262.02
IUPAC Name1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C=Cc2cccc(Cl)c2)cs1
InChIInChI=1S/C14H11ClOS/c1-10(16)14-8-12(9-17-14)6-5-11-3-2-4-13(15)7-11/h2-9H,1H3
InChIKeyONPWMKXOSZFSGE-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate
CID 155466575
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3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde
CID 122476033
3-(3-chlorophenyl)prop-2-enal
CID 2763111
(E)-3-(3-chlorophenyl)-1-[(2S,5R)-4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 6554479
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
(2Z)-2-[(3-chlorophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 5388570
(E)-1,5-bis(3-chlorophenyl)pent-1-en-3-one
CID 56957405
ethyl 4-(3-chlorophenyl)but-3-enoate
CID 170795542
(E)-3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359479
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 59987342

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone (CID 174501401) is 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone is CC(=O)c1cc(C=Cc2cccc(Cl)c2)cs1.
What is the InChIKey of 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone?
The InChIKey is ONPWMKXOSZFSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClOS/c1-10(16)14-8-12(9-17-14)6-5-11-3-2-4-13(15)7-11/h2-9H,1H3.
What are the key properties of 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone?
1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone has a molecular weight of 262.76 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 174501401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).