2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene

C13H11Cl3O2S — CID 63436479

IUPAC2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
SMILESCOc1cc(OC)cc(C(Cl)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H11Cl3O2S/c1-17-8-3-7(4-9(5-8)18-2)12(15)10-6-11(14)19-13(10)16/h3-6,12H,1-2H3
InChIKeyZGZGLKBYCFDLQF-UHFFFAOYSA-N
MW337.66 g/mol
LogP5.40
Rot. Bonds4

About 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene

2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene (PubChem CID 63436479) has the molecular formula C13H11Cl3O2S and a molecular weight of 337.66 g/mol. Its IUPAC name is 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
PubChem CID63436479
Molecular FormulaC13H11Cl3O2S
Molecular Weight337.66 g/mol
Exact Mass335.95
IUPAC Name2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
SMILESCOc1cc(OC)cc(C(Cl)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H11Cl3O2S/c1-17-8-3-7(4-9(5-8)18-2)12(15)10-6-11(14)19-13(10)16/h3-6,12H,1-2H3
InChIKeyZGZGLKBYCFDLQF-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.66
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)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

2,5-dichloro-3-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 107964575
2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
CID 61086226
2,5-dichloro-3-[chloro-(4-methylphenyl)methyl]thiophene
CID 63436429
3-[bromo-(4-methoxyphenyl)methyl]-2,5-dichlorothiophene
CID 63444952
3-[bromo-(3-methoxyphenyl)methyl]-2,5-dichlorothiophene
CID 55197831
2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene
CID 63436738
2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
CID 63436472
3-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,5-dichlorothiophene
CID 114021669
3-[(3-bromo-4-methylphenyl)-chloromethyl]-2,5-dichlorothiophene
CID 81476245
2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 63436785
2,5-dichloro-3-[chloro-(5-iodothiophen-3-yl)methyl]thiophene
CID 79683590
N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 43493094

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene?
The IUPAC name of 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene (CID 63436479) is 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene?
The canonical SMILES for 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene is COc1cc(OC)cc(C(Cl)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene?
The InChIKey is ZGZGLKBYCFDLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3O2S/c1-17-8-3-7(4-9(5-8)18-2)12(15)10-6-11(14)19-13(10)16/h3-6,12H,1-2H3.
What are the key properties of 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene?
2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene has a molecular weight of 337.66 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene is sourced from PubChem (CID 63436479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).