3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene

C13H12Cl2O2S — CID 80530505

IUPAC3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene
SMILESCOc1cccc(OC)c1C(Cl)c1sccc1Cl
InChIInChI=1S/C13H12Cl2O2S/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-8(14)6-7-18-13/h3-7,12H,1-2H3
InChIKeyFHEWCLFDVHNUQY-UHFFFAOYSA-N
MW303.21 g/mol
LogP4.75
Rot. Bonds4

About 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene

3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene (PubChem CID 80530505) has the molecular formula C13H12Cl2O2S and a molecular weight of 303.21 g/mol. Its IUPAC name is 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene.

Molecular Properties

Compound Name3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene
PubChem CID80530505
Molecular FormulaC13H12Cl2O2S
Molecular Weight303.21 g/mol
Exact Mass301.99
IUPAC Name3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene
SMILESCOc1cccc(OC)c1C(Cl)c1sccc1Cl
InChIInChI=1S/C13H12Cl2O2S/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-8(14)6-7-18-13/h3-7,12H,1-2H3
InChIKeyFHEWCLFDVHNUQY-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'}

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Related Compounds

(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 80529656
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
2-[chloro-(2,4,6-trimethoxyphenyl)methyl]-3-methylthiophene
CID 61084330
2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80530251
3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene
CID 80530289
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511
(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
CID 102829422
3-chloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]thiophene
CID 106863217
3-chloro-2-[1-chloro-2-(3-methoxyphenyl)ethyl]thiophene
CID 80530538
3-chloro-2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]thiophene
CID 80640930

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene?
The IUPAC name of 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene (CID 80530505) is 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene.
What is the SMILES notation for 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene?
The canonical SMILES for 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene is COc1cccc(OC)c1C(Cl)c1sccc1Cl.
What is the InChIKey of 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene?
The InChIKey is FHEWCLFDVHNUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2S/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-8(14)6-7-18-13/h3-7,12H,1-2H3.
What are the key properties of 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene?
3-chloro-2-[chloro-(2,6-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 3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene is sourced from PubChem (CID 80530505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).