3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene

C14H14Cl2S — CID 63432141

IUPAC3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccc(C)c(Cl)c2)c(C)s1
InChIInChI=1S/C14H14Cl2S/c1-8-4-5-11(7-13(8)15)14(16)12-6-9(2)17-10(12)3/h4-7,14H,1-3H3
InChIKeyDNYIBURJYFQDFG-UHFFFAOYSA-N
MW285.24 g/mol
LogP5.65
Rot. Bonds2

About 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene

3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene (PubChem CID 63432141) has the molecular formula C14H14Cl2S and a molecular weight of 285.24 g/mol. Its IUPAC name is 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene
PubChem CID63432141
Molecular FormulaC14H14Cl2S
Molecular Weight285.24 g/mol
Exact Mass284.02
IUPAC Name3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccc(C)c(Cl)c2)c(C)s1
InChIInChI=1S/C14H14Cl2S/c1-8-4-5-11(7-13(8)15)14(16)12-6-9(2)17-10(12)3/h4-7,14H,1-3H3
InChIKeyDNYIBURJYFQDFG-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.24
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432001
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 63429095
1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
CID 63432587
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene
CID 103404581
3-bromo-2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-methylthiophene
CID 65283694
5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene
CID 65238243
3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene
CID 63432545
2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-3-methylthiophene
CID 79997347
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
CID 102884472
3-[chloro(naphthalen-1-yl)methyl]-2,5-dimethylthiophene
CID 63431997

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene (CID 63432141) is 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene is Cc1cc(C(Cl)c2ccc(C)c(Cl)c2)c(C)s1.
What is the InChIKey of 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene?
The InChIKey is DNYIBURJYFQDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2S/c1-8-4-5-11(7-13(8)15)14(16)12-6-9(2)17-10(12)3/h4-7,14H,1-3H3.
What are the key properties of 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene?
3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene has a molecular weight of 285.24 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene is sourced from PubChem (CID 63432141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).