2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone

C15H12Cl2OS — CID 114967197

IUPAC2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H12Cl2OS/c16-11-5-4-9(12(17)8-11)6-13(18)15-7-10-2-1-3-14(10)19-15/h4-5,7-8H,1-3,6H2
InChIKeyFLWLRHHTDNFGIO-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.97
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone

2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone (PubChem CID 114967197) has the molecular formula C15H12Cl2OS and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
PubChem CID114967197
Molecular FormulaC15H12Cl2OS
Molecular Weight311.23 g/mol
Exact Mass310.00
IUPAC Name2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H12Cl2OS/c16-11-5-4-9(12(17)8-11)6-13(18)15-7-10-2-1-3-14(10)19-15/h4-5,7-8H,1-3,6H2
InChIKeyFLWLRHHTDNFGIO-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 103042747
N-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7788310
N'-[2-(4-chlorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684454
2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 63527004
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-nitrophenyl)ethanone
CID 61055673
1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 103448039
2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105088256
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 114963218
2-(4-chlorophenyl)-3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-oxopropanenitrile
CID 43334167
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanone
CID 61077516
2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 115801067

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone (CID 114967197) is 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone?
The InChIKey is FLWLRHHTDNFGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2OS/c16-11-5-4-9(12(17)8-11)6-13(18)15-7-10-2-1-3-14(10)19-15/h4-5,7-8H,1-3,6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone?
2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone has a molecular weight of 311.23 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone is sourced from PubChem (CID 114967197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).