1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone

C12H9ClOS — CID 4190812

IUPAC1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C12H9ClOS/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyZITFSMXEMRZTFY-UHFFFAOYSA-N
MW236.72 g/mol
LogP4.27
Rot. Bonds2

About 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone

1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone (PubChem CID 4190812) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
PubChem CID4190812
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C12H9ClOS/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyZITFSMXEMRZTFY-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[3-[amino(hydroxy)methyl]phenyl]thiophen-2-yl]ethanone
CID 82541874
1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
CID 107615063
1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone
CID 54965439
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone
CID 43363436
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
CID 13401836
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane
CID 142536310
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 46082739
3-[5-(3-chlorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 53412007
1-[5-(2,3,4,5,6-pentachlorophenyl)thiophen-2-yl]ethanone
CID 134618423
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone (CID 4190812) is 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone?
The InChIKey is ZITFSMXEMRZTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7H,1H3.
What are the key properties of 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone?
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone has a molecular weight of 236.72 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 4190812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).