2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene

C15H10BrClS — CID 174888272

IUPAC2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene
SMILESClc1ccc(Br)c(Cc2cc3ccccc3s2)c1
InChIInChI=1S/C15H10BrClS/c16-14-6-5-12(17)7-11(14)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2
InChIKeyPLMXTARSOUOVOZ-UHFFFAOYSA-N
MW337.67 g/mol
LogP5.91
Rot. Bonds2

About 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene

2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene (PubChem CID 174888272) has the molecular formula C15H10BrClS and a molecular weight of 337.67 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene
PubChem CID174888272
Molecular FormulaC15H10BrClS
Molecular Weight337.67 g/mol
Exact Mass335.94
IUPAC Name2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene
SMILESClc1ccc(Br)c(Cc2cc3ccccc3s2)c1
InChIInChI=1S/C15H10BrClS/c16-14-6-5-12(17)7-11(14)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2
InChIKeyPLMXTARSOUOVOZ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.67
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene 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-benzothiophen-2-ylmethyl)-4-chloroaniline
CID 58758653
2-[(3-bromophenyl)methyl]-1-benzothiophene
CID 67069102
2-(fluoromethyl)-1-benzothiophene
CID 119085404
(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421
2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
CID 23543361
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
(3R,4S,6S)-2-[5-(1-benzothiophen-2-ylmethyl)-4-chloro-2-hydroxyphenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 90394882
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride
CID 119092270
2-[[5-bromo-4-butoxy-2-(trifluoromethyl)phenyl]methyl]-1-benzothiophene
CID 90396831
2-[(3-bromo-4-butoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-1-benzothiophene
CID 70870426
2-(ethoxymethyl)-1-benzothiophene
CID 89227680

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene?
The IUPAC name of 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene (CID 174888272) is 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene.
What is the SMILES notation for 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene?
The canonical SMILES for 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene is Clc1ccc(Br)c(Cc2cc3ccccc3s2)c1.
What is the InChIKey of 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene?
The InChIKey is PLMXTARSOUOVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClS/c16-14-6-5-12(17)7-11(14)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2.
What are the key properties of 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene?
2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene has a molecular weight of 337.67 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene is sourced from PubChem (CID 174888272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).