2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene

C13H11Cl3O2S — CID 28898512

IUPAC2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene
SMILESCOc1cc(CCl)cc(Cl)c1OCc1ccc(Cl)s1
InChIInChI=1S/C13H11Cl3O2S/c1-17-11-5-8(6-14)4-10(15)13(11)18-7-9-2-3-12(16)19-9/h2-5H,6-7H2,1H3
InChIKeyZFPTVHUVYCLBIW-UHFFFAOYSA-N
MW337.66 g/mol
LogP5.38
Rot. Bonds5

About 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene

2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene (PubChem CID 28898512) has the molecular formula C13H11Cl3O2S and a molecular weight of 337.66 g/mol. Its IUPAC name is 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene
PubChem CID28898512
Molecular FormulaC13H11Cl3O2S
Molecular Weight337.66 g/mol
Exact Mass335.95
IUPAC Name2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene
SMILESCOc1cc(CCl)cc(Cl)c1OCc1ccc(Cl)s1
InChIInChI=1S/C13H11Cl3O2S/c1-17-11-5-8(6-14)4-10(15)13(11)18-7-9-2-3-12(16)19-9/h2-5H,6-7H2,1H3
InChIKeyZFPTVHUVYCLBIW-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.66
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene
CID 43516795
1-[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 60889448
1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 28898530
1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene
CID 63536847
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
CID 63776256
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933274
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
CID 43516801
2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene
CID 43627312
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 17290121
5-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]pentanenitrile
CID 54966217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene?
The IUPAC name of 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene (CID 28898512) is 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene?
The canonical SMILES for 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene is COc1cc(CCl)cc(Cl)c1OCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene?
The InChIKey is ZFPTVHUVYCLBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3O2S/c1-17-11-5-8(6-14)4-10(15)13(11)18-7-9-2-3-12(16)19-9/h2-5H,6-7H2,1H3.
What are the key properties of 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene?
2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene has a molecular weight of 337.66 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene is sourced from PubChem (CID 28898512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).