2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene

C15H17BrS — CID 81158290

IUPAC2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene
SMILESCc1cc(C)c(C(Br)Cc2ccccc2C)s1
InChIInChI=1S/C15H17BrS/c1-10-6-4-5-7-13(10)9-14(16)15-11(2)8-12(3)17-15/h4-8,14H,9H2,1-3H3
InChIKeyOQVSIQVOICDSDB-UHFFFAOYSA-N
MW309.27 g/mol
LogP5.35
Rot. Bonds3

About 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene

2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene (PubChem CID 81158290) has the molecular formula C15H17BrS and a molecular weight of 309.27 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene
PubChem CID81158290
Molecular FormulaC15H17BrS
Molecular Weight309.27 g/mol
Exact Mass308.02
IUPAC Name2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene
SMILESCc1cc(C)c(C(Br)Cc2ccccc2C)s1
InChIInChI=1S/C15H17BrS/c1-10-6-4-5-7-13(10)9-14(16)15-11(2)8-12(3)17-15/h4-8,14H,9H2,1-3H3
InChIKeyOQVSIQVOICDSDB-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.27
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-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

2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158746
2-[1-bromo-2-(2,3-difluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158192
2-[1-bromo-2-(3-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81157821
2-bromo-5-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 79996862
3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene
CID 65278769
2-[1-bromo-2-(2-methylphenyl)ethyl]-5-chlorothiophene
CID 63441693
1-[1-bromo-2-(2-methylphenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63544372
2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene
CID 114024046
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-[1-bromo-2-(2-methylphenyl)ethyl]-3-propan-2-yloxybenzene
CID 63544543
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
CID 61081038
1-[1-bromo-2-(2-methylphenyl)ethyl]-2-chloro-4-fluorobenzene
CID 63544531

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene?
The IUPAC name of 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene (CID 81158290) is 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene.
What is the SMILES notation for 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene?
The canonical SMILES for 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene is Cc1cc(C)c(C(Br)Cc2ccccc2C)s1.
What is the InChIKey of 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene?
The InChIKey is OQVSIQVOICDSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrS/c1-10-6-4-5-7-13(10)9-14(16)15-11(2)8-12(3)17-15/h4-8,14H,9H2,1-3H3.
What are the key properties of 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene?
2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene has a molecular weight of 309.27 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene is sourced from PubChem (CID 81158290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).