2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene

C13H11Cl3S — CID 102764693

IUPAC2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2cccc(C)c2Cl)sc1Cl
InChIInChI=1S/C13H11Cl3S/c1-7-4-3-5-9(11(7)14)12(15)10-6-8(2)13(16)17-10/h3-6,12H,1-2H3
InChIKeyOSWSAMJGDGWIQP-UHFFFAOYSA-N
MW305.66 g/mol
LogP6.00
Rot. Bonds2

About 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene

2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene (PubChem CID 102764693) has the molecular formula C13H11Cl3S and a molecular weight of 305.66 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
PubChem CID102764693
Molecular FormulaC13H11Cl3S
Molecular Weight305.66 g/mol
Exact Mass303.96
IUPAC Name2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2cccc(C)c2Cl)sc1Cl
InChIInChI=1S/C13H11Cl3S/c1-7-4-3-5-9(11(7)14)12(15)10-6-8(2)13(16)17-10/h3-6,12H,1-2H3
InChIKeyOSWSAMJGDGWIQP-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.66
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene 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-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
CID 102836292
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 102764800
5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 107983647
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
CID 102764699
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 102764769
2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
CID 103404938
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 102764724
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
N-[(2-bromo-3-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 107982142

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene (CID 102764693) is 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene is Cc1cc(C(Cl)c2cccc(C)c2Cl)sc1Cl.
What is the InChIKey of 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene?
The InChIKey is OSWSAMJGDGWIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3S/c1-7-4-3-5-9(11(7)14)12(15)10-6-8(2)13(16)17-10/h3-6,12H,1-2H3.
What are the key properties of 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene?
2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene has a molecular weight of 305.66 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene is sourced from PubChem (CID 102764693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).