2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene

C14H14Br2O2S — CID 105057371

IUPAC2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene
SMILESCOc1cc(C(Br)c2ccc(C)s2)c(OC)cc1Br
InChIInChI=1S/C14H14Br2O2S/c1-8-4-5-13(19-8)14(16)9-6-12(18-3)10(15)7-11(9)17-2/h4-7,14H,1-3H3
InChIKeyHVQUQRKYZXTUMW-UHFFFAOYSA-N
MW406.14 g/mol
LogP5.32
Rot. Bonds4

About 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene

2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene (PubChem CID 105057371) has the molecular formula C14H14Br2O2S and a molecular weight of 406.14 g/mol. Its IUPAC name is 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene
PubChem CID105057371
Molecular FormulaC14H14Br2O2S
Molecular Weight406.14 g/mol
Exact Mass403.91
IUPAC Name2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene
SMILESCOc1cc(C(Br)c2ccc(C)s2)c(OC)cc1Br
InChIInChI=1S/C14H14Br2O2S/c1-8-4-5-13(19-8)14(16)9-6-12(18-3)10(15)7-11(9)17-2/h4-7,14H,1-3H3
InChIKeyHVQUQRKYZXTUMW-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.14
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene
CID 63435888
2-[bromo-(2-fluoro-4,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 55125430
2-[bromo-(2-methoxyphenyl)methyl]-5-methylthiophene
CID 61085099
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
2-[bromo-(2,4,6-trimethoxyphenyl)methyl]-5-methylthiophene
CID 61096894
1-bromo-4-[bromo-(4-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057398
N-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43491679
1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene
CID 105057422
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-methylthiophene
CID 107991587
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]-5-methylthiophene
CID 63447966
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-methylthiophene
CID 55199246

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene (CID 105057371) is 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene is COc1cc(C(Br)c2ccc(C)s2)c(OC)cc1Br.
What is the InChIKey of 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene?
The InChIKey is HVQUQRKYZXTUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O2S/c1-8-4-5-13(19-8)14(16)9-6-12(18-3)10(15)7-11(9)17-2/h4-7,14H,1-3H3.
What are the key properties of 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene?
2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene has a molecular weight of 406.14 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 105057371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).