2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene

C13H12Br2OS — CID 63443929

IUPAC2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
SMILESCOc1ccccc1CC(Br)c1ccc(Br)s1
InChIInChI=1S/C13H12Br2OS/c1-16-11-5-3-2-4-9(11)8-10(14)12-6-7-13(15)17-12/h2-7,10H,8H2,1H3
InChIKeyFHLSJDDSYUMMEC-UHFFFAOYSA-N
MW376.11 g/mol
LogP5.20
Rot. Bonds4

About 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene

2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene (PubChem CID 63443929) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
PubChem CID63443929
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
SMILESCOc1ccccc1CC(Br)c1ccc(Br)s1
InChIInChI=1S/C13H12Br2OS/c1-16-11-5-3-2-4-9(11)8-10(14)12-6-7-13(15)17-12/h2-7,10H,8H2,1H3
InChIKeyFHLSJDDSYUMMEC-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene 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

(1R)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81397564
3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene
CID 65278769
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
3-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,5-dichlorothiophene
CID 63445258
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
CID 102836398
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79990281
1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene
CID 121269535
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene?
The IUPAC name of 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene (CID 63443929) is 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene.
What is the SMILES notation for 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene?
The canonical SMILES for 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene is COc1ccccc1CC(Br)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene?
The InChIKey is FHLSJDDSYUMMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c1-16-11-5-3-2-4-9(11)8-10(14)12-6-7-13(15)17-12/h2-7,10H,8H2,1H3.
What are the key properties of 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene?
2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene has a molecular weight of 376.11 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene is sourced from PubChem (CID 63443929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).