1-(2-chlorophenyl)-2-thiophen-3-ylethanone

C12H9ClOS — CID 61054052

IUPAC1-(2-chlorophenyl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1ccccc1Cl
InChIInChI=1S/C12H9ClOS/c13-11-4-2-1-3-10(11)12(14)7-9-5-6-15-8-9/h1-6,8H,7H2
InChIKeyCRWKUKDYUOKGLQ-UHFFFAOYSA-N
MW236.72 g/mol
LogP3.83
Rot. Bonds3

About 1-(2-chlorophenyl)-2-thiophen-3-ylethanone

1-(2-chlorophenyl)-2-thiophen-3-ylethanone (PubChem CID 61054052) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-thiophen-3-ylethanone
PubChem CID61054052
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name1-(2-chlorophenyl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1ccccc1Cl
InChIInChI=1S/C12H9ClOS/c13-11-4-2-1-3-10(11)12(14)7-9-5-6-15-8-9/h1-6,8H,7H2
InChIKeyCRWKUKDYUOKGLQ-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62621400
1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054270
1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 55099203
1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62053567
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
CID 116581909
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-thiophen-3-ylacetamide
CID 2819884
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-thiophen-3-ylethanone
CID 106971932
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 55144449
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622132

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-thiophen-3-ylethanone (CID 61054052) is 1-(2-chlorophenyl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-thiophen-3-ylethanone?
The InChIKey is CRWKUKDYUOKGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c13-11-4-2-1-3-10(11)12(14)7-9-5-6-15-8-9/h1-6,8H,7H2.
What are the key properties of 1-(2-chlorophenyl)-2-thiophen-3-ylethanone?
1-(2-chlorophenyl)-2-thiophen-3-ylethanone has a molecular weight of 236.72 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 61054052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).