2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene

C13H12BrClO2S — CID 43268075

IUPAC2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
SMILESCOc1ccc(OCc2ccc(Br)s2)c(CCl)c1
InChIInChI=1S/C13H12BrClO2S/c1-16-10-2-4-12(9(6-10)7-15)17-8-11-3-5-13(14)18-11/h2-6H,7-8H2,1H3
InChIKeyCLRMATQXZNNPQC-UHFFFAOYSA-N
MW347.66 g/mol
LogP4.84
Rot. Bonds5

About 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene

2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene (PubChem CID 43268075) has the molecular formula C13H12BrClO2S and a molecular weight of 347.66 g/mol. Its IUPAC name is 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
PubChem CID43268075
Molecular FormulaC13H12BrClO2S
Molecular Weight347.66 g/mol
Exact Mass345.94
IUPAC Name2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
SMILESCOc1ccc(OCc2ccc(Br)s2)c(CCl)c1
InChIInChI=1S/C13H12BrClO2S/c1-16-10-2-4-12(9(6-10)7-15)17-8-11-3-5-13(14)18-11/h2-6H,7-8H2,1H3
InChIKeyCLRMATQXZNNPQC-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.66
LogP ≤ 54.84
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

4-bromo-2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 63536703
2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde
CID 43267878
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60878324
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 82000633
[2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 28562651
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol
CID 43141922
2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
CID 63457739
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
CID 82919668
N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559265
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene?
The IUPAC name of 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene (CID 43268075) is 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene?
The canonical SMILES for 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene is COc1ccc(OCc2ccc(Br)s2)c(CCl)c1.
What is the InChIKey of 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene?
The InChIKey is CLRMATQXZNNPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClO2S/c1-16-10-2-4-12(9(6-10)7-15)17-8-11-3-5-13(14)18-11/h2-6H,7-8H2,1H3.
What are the key properties of 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene?
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene has a molecular weight of 347.66 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene is sourced from PubChem (CID 43268075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).