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

C13H12Cl2O2S — CID 61086226

IUPAC2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
SMILESCOc1cc(OC)cc(C(Cl)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H12Cl2O2S/c1-16-9-5-8(6-10(7-9)17-2)13(15)11-3-4-12(14)18-11/h3-7,13H,1-2H3
InChIKeyAXUPWTLHGFCOKQ-UHFFFAOYSA-N
MW303.21 g/mol
LogP4.75
Rot. Bonds4

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

2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene (PubChem CID 61086226) has the molecular formula C13H12Cl2O2S and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
PubChem CID61086226
Molecular FormulaC13H12Cl2O2S
Molecular Weight303.21 g/mol
Exact Mass301.99
IUPAC Name2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
SMILESCOc1cc(OC)cc(C(Cl)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H12Cl2O2S/c1-16-9-5-8(6-10(7-9)17-2)13(15)11-3-4-12(14)18-11/h3-7,13H,1-2H3
InChIKeyAXUPWTLHGFCOKQ-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[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-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-chlorothiophene
CID 63427355
2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
CID 63436479
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
(5-chlorothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanol
CID 62278042
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81375983
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene
CID 63432524
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyaniline
CID 82858247
(5-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 113370055
(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 105119649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene?
The IUPAC name of 2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene (CID 61086226) is 2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene?
The canonical SMILES for 2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene is COc1cc(OC)cc(C(Cl)c2ccc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene?
The InChIKey is AXUPWTLHGFCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2S/c1-16-9-5-8(6-10(7-9)17-2)13(15)11-3-4-12(14)18-11/h3-7,13H,1-2H3.
What are the key properties of 2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene?
2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene has a molecular weight of 303.21 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene is sourced from PubChem (CID 61086226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).