5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene

C14H14Cl2S — CID 65238571

IUPAC5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
SMILESCc1cc(C(Cl)Cc2ccccc2Cl)sc1C
InChIInChI=1S/C14H14Cl2S/c1-9-7-14(17-10(9)2)13(16)8-11-5-3-4-6-12(11)15/h3-7,13H,8H2,1-2H3
InChIKeyUKWONTJJOOEFJM-UHFFFAOYSA-N
MW285.24 g/mol
LogP5.54
Rot. Bonds3

About 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene

5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene (PubChem CID 65238571) has the molecular formula C14H14Cl2S and a molecular weight of 285.24 g/mol. Its IUPAC name is 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
PubChem CID65238571
Molecular FormulaC14H14Cl2S
Molecular Weight285.24 g/mol
Exact Mass284.02
IUPAC Name5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
SMILESCc1cc(C(Cl)Cc2ccccc2Cl)sc1C
InChIInChI=1S/C14H14Cl2S/c1-9-7-14(17-10(9)2)13(16)8-11-5-3-4-6-12(11)15/h3-7,13H,8H2,1-2H3
InChIKeyUKWONTJJOOEFJM-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.24
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
CID 102764734
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
CID 63519147
2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
CID 102764766
4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine
CID 66461194
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
2-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]-1,3-benzoxazole
CID 66461542
2-[1-chloro-2-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261787
N-[(2-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115800915
2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
CID 115785074
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylthiophene
CID 63430609

Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene?
The IUPAC name of 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene (CID 65238571) is 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene.
What is the SMILES notation for 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene?
The canonical SMILES for 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene is Cc1cc(C(Cl)Cc2ccccc2Cl)sc1C.
What is the InChIKey of 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene?
The InChIKey is UKWONTJJOOEFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2S/c1-9-7-14(17-10(9)2)13(16)8-11-5-3-4-6-12(11)15/h3-7,13H,8H2,1-2H3.
What are the key properties of 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene?
5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene has a molecular weight of 285.24 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene is sourced from PubChem (CID 65238571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).