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

C13H11BrCl2OS — CID 102836398

IUPAC3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
SMILESCOc1ccccc1CC(Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H11BrCl2OS/c1-17-11-5-3-2-4-8(11)6-10(15)12-7-9(14)13(16)18-12/h2-5,7,10H,6H2,1H3
InChIKeyADNAHITZFPTNMF-UHFFFAOYSA-N
MW366.11 g/mol
LogP5.70
Rot. Bonds4

About 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene

3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene (PubChem CID 102836398) has the molecular formula C13H11BrCl2OS and a molecular weight of 366.11 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
PubChem CID102836398
Molecular FormulaC13H11BrCl2OS
Molecular Weight366.11 g/mol
Exact Mass363.91
IUPAC Name3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
SMILESCOc1ccccc1CC(Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H11BrCl2OS/c1-17-11-5-3-2-4-8(11)6-10(15)12-7-9(14)13(16)18-12/h2-5,7,10H,6H2,1H3
InChIKeyADNAHITZFPTNMF-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.11
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
CID 102764766
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
3-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,5-dichlorothiophene
CID 63445258
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835
3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 102836654
2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
CID 63443929
2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
CID 102764734
3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene
CID 65278769
3-bromo-5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2-chlorothiophene
CID 102836336
1-bromo-4-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105399972
3-bromo-2-chloro-5-(1-chlorobutyl)thiophene
CID 102836404

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene?
The IUPAC name of 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene (CID 102836398) is 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene?
The canonical SMILES for 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene is COc1ccccc1CC(Cl)c1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene?
The InChIKey is ADNAHITZFPTNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2OS/c1-17-11-5-3-2-4-8(11)6-10(15)12-7-9(14)13(16)18-12/h2-5,7,10H,6H2,1H3.
What are the key properties of 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene?
3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene has a molecular weight of 366.11 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene is sourced from PubChem (CID 102836398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).