2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene

C14H13BrCl2S — CID 115484725

IUPAC2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene
SMILESCc1cc(Cl)c(C(Cl)c2cc(C)c(Br)s2)cc1C
InChIInChI=1S/C14H13BrCl2S/c1-7-4-10(11(16)5-8(7)2)13(17)12-6-9(3)14(15)18-12/h4-6,13H,1-3H3
InChIKeyGYDZCAWTVCHNOR-UHFFFAOYSA-N
MW364.14 g/mol
LogP6.42
Rot. Bonds2

About 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene

2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene (PubChem CID 115484725) has the molecular formula C14H13BrCl2S and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene
PubChem CID115484725
Molecular FormulaC14H13BrCl2S
Molecular Weight364.14 g/mol
Exact Mass361.93
IUPAC Name2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene
SMILESCc1cc(Cl)c(C(Cl)c2cc(C)c(Br)s2)cc1C
InChIInChI=1S/C14H13BrCl2S/c1-7-4-10(11(16)5-8(7)2)13(17)12-6-9(3)14(15)18-12/h4-6,13H,1-3H3
InChIKeyGYDZCAWTVCHNOR-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.14
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-7-chloro-3,4-dihydro-2H-1,5-benzodioxepine
CID 79999400
2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-3-methylthiophene
CID 79997347
2-bromo-5-[(4-bromo-2-methylphenyl)-chloromethyl]-3-methylthiophene
CID 79992124
2-bromo-5-[chloro-(4-propan-2-ylphenyl)methyl]-3-methylthiophene
CID 79996665
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
CID 79997011
2-bromo-5-[chloro-(2,3,4-trimethoxyphenyl)methyl]-3-methylthiophene
CID 79999407
2-bromo-5-[(2-bromo-4-fluorophenyl)-chloromethyl]-3-methylthiophene
CID 79991791
2,3-dibromo-5-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]thiophene
CID 80538747
2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 79991257
5-bromo-7-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 104543341
5-bromo-6-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one
CID 79997266

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene?
The IUPAC name of 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene (CID 115484725) is 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene is Cc1cc(Cl)c(C(Cl)c2cc(C)c(Br)s2)cc1C.
What is the InChIKey of 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene?
The InChIKey is GYDZCAWTVCHNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2S/c1-7-4-10(11(16)5-8(7)2)13(17)12-6-9(3)14(15)18-12/h4-6,13H,1-3H3.
What are the key properties of 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene?
2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene has a molecular weight of 364.14 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene is sourced from PubChem (CID 115484725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).