2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene

C12H10BrClS — CID 63436095

IUPAC2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Br)c2cccc(Cl)c2)s1
InChIInChI=1S/C12H10BrClS/c1-8-5-6-11(15-8)12(13)9-3-2-4-10(14)7-9/h2-7,12H,1H3
InChIKeyNEWYXKCTRDYHQQ-UHFFFAOYSA-N
MW301.64 g/mol
LogP5.19
Rot. Bonds2

About 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene

2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene (PubChem CID 63436095) has the molecular formula C12H10BrClS and a molecular weight of 301.64 g/mol. Its IUPAC name is 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene
PubChem CID63436095
Molecular FormulaC12H10BrClS
Molecular Weight301.64 g/mol
Exact Mass299.94
IUPAC Name2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Br)c2cccc(Cl)c2)s1
InChIInChI=1S/C12H10BrClS/c1-8-5-6-11(15-8)12(13)9-3-2-4-10(14)7-9/h2-7,12H,1H3
InChIKeyNEWYXKCTRDYHQQ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.64
LogP ≤ 55.19
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

2-[bromo-(3-methylphenyl)methyl]-5-chlorothiophene
CID 63441697
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-methylthiophene
CID 107991587
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-5-methylthiophene
CID 63439323
2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-methylthiophene
CID 81476406
1-bromo-1-(3-chlorophenyl)propan-2-ol
CID 150342170
2-bromo-2-(3-chlorophenyl)ethanol
CID 22121388
3-[bromo-(5-methylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440541
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methylthiophene
CID 79596914
2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983493
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
CID 65278280
2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
CID 102764699

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene (CID 63436095) is 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene is Cc1ccc(C(Br)c2cccc(Cl)c2)s1.
What is the InChIKey of 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene?
The InChIKey is NEWYXKCTRDYHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClS/c1-8-5-6-11(15-8)12(13)9-3-2-4-10(14)7-9/h2-7,12H,1H3.
What are the key properties of 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene?
2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene has a molecular weight of 301.64 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 63436095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).