2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene

C13H12Br2OS — CID 63435888

IUPAC2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene
SMILESCOc1ccc(Br)cc1C(Br)c1ccc(C)s1
InChIInChI=1S/C13H12Br2OS/c1-8-3-6-12(17-8)13(15)10-7-9(14)4-5-11(10)16-2/h3-7,13H,1-2H3
InChIKeyRDQVVSQFQXWKCG-UHFFFAOYSA-N
MW376.11 g/mol
LogP5.31
Rot. Bonds3

About 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene

2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene (PubChem CID 63435888) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene
PubChem CID63435888
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene
SMILESCOc1ccc(Br)cc1C(Br)c1ccc(C)s1
InChIInChI=1S/C13H12Br2OS/c1-8-3-6-12(17-8)13(15)10-7-9(14)4-5-11(10)16-2/h3-7,13H,1-2H3
InChIKeyRDQVVSQFQXWKCG-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 55.31
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-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 105057371
2-[bromo-(2-methoxyphenyl)methyl]-5-methylthiophene
CID 61085099
2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene
CID 63435784
2-[bromo-(2-fluoro-4,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 55125430
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-methylthiophene
CID 63435870
2-[bromo-(2,4,6-trimethoxyphenyl)methyl]-5-methylthiophene
CID 61096894
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]-5-methylthiophene
CID 63447966
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-5-methylthiophene
CID 63439323
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-3-methylthiophene
CID 63435889
1-bromo-3-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylbenzene
CID 113460992
2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
CID 107964586

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene (CID 63435888) is 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene is COc1ccc(Br)cc1C(Br)c1ccc(C)s1.
What is the InChIKey of 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene?
The InChIKey is RDQVVSQFQXWKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c1-8-3-6-12(17-8)13(15)10-7-9(14)4-5-11(10)16-2/h3-7,13H,1-2H3.
What are the key properties of 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene?
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene has a molecular weight of 376.11 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 63435888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).