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

C13H11Cl3S — CID 102764734

IUPAC2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)Cc2ccccc2Cl)sc1Cl
InChIInChI=1S/C13H11Cl3S/c1-8-6-12(17-13(8)16)11(15)7-9-4-2-3-5-10(9)14/h2-6,11H,7H2,1H3
InChIKeyKQDSMTYTBHFXJC-UHFFFAOYSA-N
MW305.66 g/mol
LogP5.89
Rot. Bonds3

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

2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene (PubChem CID 102764734) has the molecular formula C13H11Cl3S and a molecular weight of 305.66 g/mol. Its IUPAC name is 2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
PubChem CID102764734
Molecular FormulaC13H11Cl3S
Molecular Weight305.66 g/mol
Exact Mass303.96
IUPAC Name2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)Cc2ccccc2Cl)sc1Cl
InChIInChI=1S/C13H11Cl3S/c1-8-6-12(17-13(8)16)11(15)7-9-4-2-3-5-10(9)14/h2-6,11H,7H2,1H3
InChIKeyKQDSMTYTBHFXJC-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

5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
CID 65238571
2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
CID 102764766
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
CID 63519147
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776
2-[1-chloro-2-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261787
3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
CID 102836398
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylthiophene
CID 63430609
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 102763744
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
CID 81307607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene (CID 102764734) is 2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene is Cc1cc(C(Cl)Cc2ccccc2Cl)sc1Cl.
What is the InChIKey of 2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene?
The InChIKey is KQDSMTYTBHFXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3S/c1-8-6-12(17-13(8)16)11(15)7-9-4-2-3-5-10(9)14/h2-6,11H,7H2,1H3.
What are the key properties of 2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene?
2-chloro-5-[1-chloro-2-(2-chlorophenyl)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-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene is sourced from PubChem (CID 102764734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).