1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one

C13H10Cl2OS — CID 62622132

IUPAC1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2OS/c14-12-2-1-9(7-13(12)15)5-11(16)6-10-3-4-17-8-10/h1-4,7-8H,5-6H2
InChIKeySUPBRMYLMMGERB-UHFFFAOYSA-N
MW285.19 g/mol
LogP4.41
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one

1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one (PubChem CID 62622132) has the molecular formula C13H10Cl2OS and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
PubChem CID62622132
Molecular FormulaC13H10Cl2OS
Molecular Weight285.19 g/mol
Exact Mass283.98
IUPAC Name1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2OS/c14-12-2-1-9(7-13(12)15)5-11(16)6-10-3-4-17-8-10/h1-4,7-8H,5-6H2
InChIKeySUPBRMYLMMGERB-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 54.41
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-(3,4-dichlorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62621958
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 55144449
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 80529728
1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054270
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
CID 116595878

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one (CID 62622132) is 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is SUPBRMYLMMGERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2OS/c14-12-2-1-9(7-13(12)15)5-11(16)6-10-3-4-17-8-10/h1-4,7-8H,5-6H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one?
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 285.19 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 62622132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).