5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene

C13H11BrCl2OS — CID 102764921

IUPAC5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
SMILESCOc1cc(Cl)ccc1C(Br)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H11BrCl2OS/c1-7-5-11(18-13(7)16)12(14)9-4-3-8(15)6-10(9)17-2/h3-6,12H,1-2H3
InChIKeyAIEISKKPZJYRTR-UHFFFAOYSA-N
MW366.11 g/mol
LogP5.86
Rot. Bonds3

About 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene

5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene (PubChem CID 102764921) has the molecular formula C13H11BrCl2OS and a molecular weight of 366.11 g/mol. Its IUPAC name is 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
PubChem CID102764921
Molecular FormulaC13H11BrCl2OS
Molecular Weight366.11 g/mol
Exact Mass363.91
IUPAC Name5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
SMILESCOc1cc(Cl)ccc1C(Br)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H11BrCl2OS/c1-7-5-11(18-13(7)16)12(14)9-4-3-8(15)6-10(9)17-2/h3-6,12H,1-2H3
InChIKeyAIEISKKPZJYRTR-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.11
LogP ≤ 55.86
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

5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
3-bromo-5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-methylthiophene
CID 102836139
2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene
CID 81158564
5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764930
5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102765008
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloro-2-methoxybenzene
CID 55197809
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485
3-bromo-5-[bromo-(4-bromo-2-methoxyphenyl)methyl]-2-methylthiophene
CID 102835832

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene (CID 102764921) is 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene is COc1cc(Cl)ccc1C(Br)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene?
The InChIKey is AIEISKKPZJYRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2OS/c1-7-5-11(18-13(7)16)12(14)9-4-3-8(15)6-10(9)17-2/h3-6,12H,1-2H3.
What are the key properties of 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene?
5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene has a molecular weight of 366.11 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 102764921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).