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

C14H14Br2OS — CID 65278769

IUPAC3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene
SMILESCOc1ccccc1CC(Br)c1sc(C)cc1Br
InChIInChI=1S/C14H14Br2OS/c1-9-7-11(15)14(18-9)12(16)8-10-5-3-4-6-13(10)17-2/h3-7,12H,8H2,1-2H3
InChIKeyRBZCHVDMVBAXAU-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.51
Rot. Bonds4

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

3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene (PubChem CID 65278769) has the molecular formula C14H14Br2OS and a molecular weight of 390.14 g/mol. Its IUPAC name is 3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene.

Molecular Properties

Compound Name3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene
PubChem CID65278769
Molecular FormulaC14H14Br2OS
Molecular Weight390.14 g/mol
Exact Mass387.91
IUPAC Name3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene
SMILESCOc1ccccc1CC(Br)c1sc(C)cc1Br
InChIInChI=1S/C14H14Br2OS/c1-9-7-11(15)14(18-9)12(16)8-10-5-3-4-6-13(10)17-2/h3-7,12H,8H2,1-2H3
InChIKeyRBZCHVDMVBAXAU-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.51
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-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
CID 63443929
2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81158290
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79990281
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
3-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,5-dichlorothiophene
CID 63445258
1-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyphenyl)ethanol
CID 61087046
2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158746
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 65434708
3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
CID 102836398
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-bromo-4-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105399972

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene?
The IUPAC name of 3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene (CID 65278769) is 3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene.
What is the SMILES notation for 3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene?
The canonical SMILES for 3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene is COc1ccccc1CC(Br)c1sc(C)cc1Br.
What is the InChIKey of 3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene?
The InChIKey is RBZCHVDMVBAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2OS/c1-9-7-11(15)14(18-9)12(16)8-10-5-3-4-6-13(10)17-2/h3-7,12H,8H2,1-2H3.
What are the key properties of 3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene?
3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene has a molecular weight of 390.14 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene is sourced from PubChem (CID 65278769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).