2-[2-chloro-4-(4-methylphenyl)butyl]thiophene

C15H17ClS — CID 55223117

IUPAC2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
SMILESCc1ccc(CCC(Cl)Cc2cccs2)cc1
InChIInChI=1S/C15H17ClS/c1-12-4-6-13(7-5-12)8-9-14(16)11-15-3-2-10-17-15/h2-7,10,14H,8-9,11H2,1H3
InChIKeyZVBZLNQSPWJLCQ-UHFFFAOYSA-N
MW264.82 g/mol
LogP4.84
Rot. Bonds5

About 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene

2-[2-chloro-4-(4-methylphenyl)butyl]thiophene (PubChem CID 55223117) has the molecular formula C15H17ClS and a molecular weight of 264.82 g/mol. Its IUPAC name is 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene.

Molecular Properties

Compound Name2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
PubChem CID55223117
Molecular FormulaC15H17ClS
Molecular Weight264.82 g/mol
Exact Mass264.07
IUPAC Name2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
SMILESCc1ccc(CCC(Cl)Cc2cccs2)cc1
InChIInChI=1S/C15H17ClS/c1-12-4-6-13(7-5-12)8-9-14(16)11-15-3-2-10-17-15/h2-7,10,14H,8-9,11H2,1H3
InChIKeyZVBZLNQSPWJLCQ-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.82
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene 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

2-(2-chloro-4-phenylbutyl)thiophene
CID 63519028
2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene
CID 63543569
2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene
CID 63544769
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 62515381
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile
CID 82081204
N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
CID 110306927
2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
1-(4-propylphenyl)-2-thiophen-2-ylethanamine
CID 62800451

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene?
The IUPAC name of 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene (CID 55223117) is 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene.
What is the SMILES notation for 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene?
The canonical SMILES for 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene is Cc1ccc(CCC(Cl)Cc2cccs2)cc1.
What is the InChIKey of 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene?
The InChIKey is ZVBZLNQSPWJLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClS/c1-12-4-6-13(7-5-12)8-9-14(16)11-15-3-2-10-17-15/h2-7,10,14H,8-9,11H2,1H3.
What are the key properties of 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene?
2-[2-chloro-4-(4-methylphenyl)butyl]thiophene has a molecular weight of 264.82 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(4-methylphenyl)butyl]thiophene is sourced from PubChem (CID 55223117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).