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

C14H14BrClOS — CID 81158564

IUPAC2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene
SMILESCOc1cc(Cl)ccc1C(Br)c1sc(C)cc1C
InChIInChI=1S/C14H14BrClOS/c1-8-6-9(2)18-14(8)13(15)11-5-4-10(16)7-12(11)17-3/h4-7,13H,1-3H3
InChIKeyHYZJIQFYAIXPKX-UHFFFAOYSA-N
MW345.69 g/mol
LogP5.51
Rot. Bonds3

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

2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene (PubChem CID 81158564) has the molecular formula C14H14BrClOS and a molecular weight of 345.69 g/mol. Its IUPAC name is 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene
PubChem CID81158564
Molecular FormulaC14H14BrClOS
Molecular Weight345.69 g/mol
Exact Mass343.96
IUPAC Name2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene
SMILESCOc1cc(Cl)ccc1C(Br)c1sc(C)cc1C
InChIInChI=1S/C14H14BrClOS/c1-8-6-9(2)18-14(8)13(15)11-5-4-10(16)7-12(11)17-3/h4-7,13H,1-3H3
InChIKeyHYZJIQFYAIXPKX-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.69
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-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-[bromo-(2-bromo-4-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 107992094
2-[bromo-(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81158655
5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764921
3-bromo-5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-methylthiophene
CID 102836139
2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylthiophene
CID 102884679
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloro-2-methoxybenzene
CID 55197809
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
2-[bromo-(2-chloro-4-methylphenyl)methyl]-3,5-dimethylthiophene
CID 106863236
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 81158554
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203
2-[bromo-(4-bromo-2-methylphenyl)methyl]-3,5-dimethylthiophene
CID 81158840
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene?
The IUPAC name of 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene (CID 81158564) is 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene.
What is the SMILES notation for 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene?
The canonical SMILES for 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene is COc1cc(Cl)ccc1C(Br)c1sc(C)cc1C.
What is the InChIKey of 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene?
The InChIKey is HYZJIQFYAIXPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClOS/c1-8-6-9(2)18-14(8)13(15)11-5-4-10(16)7-12(11)17-3/h4-7,13H,1-3H3.
What are the key properties of 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene?
2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene has a molecular weight of 345.69 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene is sourced from PubChem (CID 81158564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).