2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene

C13H11Cl3S — CID 63531439

IUPAC2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene
SMILESCc1ccsc1C(Cl)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl3S/c1-8-4-5-17-13(8)12(16)7-9-2-3-10(14)11(15)6-9/h2-6,12H,7H2,1H3
InChIKeyTUGZDUPQUILDQU-UHFFFAOYSA-N
MW305.66 g/mol
LogP5.89
Rot. Bonds3

About 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene

2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene (PubChem CID 63531439) has the molecular formula C13H11Cl3S and a molecular weight of 305.66 g/mol. Its IUPAC name is 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene
PubChem CID63531439
Molecular FormulaC13H11Cl3S
Molecular Weight305.66 g/mol
Exact Mass303.96
IUPAC Name2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene
SMILESCc1ccsc1C(Cl)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl3S/c1-8-4-5-17-13(8)12(16)7-9-2-3-10(14)11(15)6-9/h2-6,12H,7H2,1H3
InChIKeyTUGZDUPQUILDQU-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.66
LogP ≤ 55.89
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

1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 55239745
2-[bromo-(3,4-dichlorophenyl)methyl]-3-methylthiophene
CID 63444838
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 63544235
3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran
CID 63530762
2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80530251
3-chloro-2-[1-chloro-2-(3-methoxyphenyl)ethyl]thiophene
CID 80530538
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]pyrimidine
CID 114552967
3-bromo-2-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 63800008
2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 80533591
3-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 63799658
2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
CID 106689813

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene?
The IUPAC name of 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene (CID 63531439) is 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene.
What is the SMILES notation for 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene?
The canonical SMILES for 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene is Cc1ccsc1C(Cl)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene?
The InChIKey is TUGZDUPQUILDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3S/c1-8-4-5-17-13(8)12(16)7-9-2-3-10(14)11(15)6-9/h2-6,12H,7H2,1H3.
What are the key properties of 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene?
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene has a molecular weight of 305.66 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene is sourced from PubChem (CID 63531439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).