3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene

C15H17ClO2S — CID 61084593

IUPAC3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene
SMILESCOc1cccc(OC)c1C(Cl)c1cc(C)sc1C
InChIInChI=1S/C15H17ClO2S/c1-9-8-11(10(2)19-9)15(16)14-12(17-3)6-5-7-13(14)18-4/h5-8,15H,1-4H3
InChIKeyZEXLKARYTSNLFN-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.71
Rot. Bonds4

About 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene

3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene (PubChem CID 61084593) has the molecular formula C15H17ClO2S and a molecular weight of 296.82 g/mol. Its IUPAC name is 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene
PubChem CID61084593
Molecular FormulaC15H17ClO2S
Molecular Weight296.82 g/mol
Exact Mass296.06
IUPAC Name3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene
SMILESCOc1cccc(OC)c1C(Cl)c1cc(C)sc1C
InChIInChI=1S/C15H17ClO2S/c1-9-8-11(10(2)19-9)15(16)14-12(17-3)6-5-7-13(14)18-4/h5-8,15H,1-4H3
InChIKeyZEXLKARYTSNLFN-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.71
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

1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 61084322
3-[chloro-[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylthiophene
CID 55199092
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
1-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyphenyl)ethanol
CID 61087046
2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
CID 63434919
3-[chloro(naphthalen-1-yl)methyl]-2,5-dimethylthiophene
CID 63431997
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
CID 102884472
3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene
CID 63432545
3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433738
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511
1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 65432513
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene (CID 61084593) is 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene is COc1cccc(OC)c1C(Cl)c1cc(C)sc1C.
What is the InChIKey of 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene?
The InChIKey is ZEXLKARYTSNLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2S/c1-9-8-11(10(2)19-9)15(16)14-12(17-3)6-5-7-13(14)18-4/h5-8,15H,1-4H3.
What are the key properties of 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene?
3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene has a molecular weight of 296.82 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene is sourced from PubChem (CID 61084593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).