2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene

C15H17ClO2S — CID 61084080

IUPAC2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene
SMILESCOc1cc(C)c(C(Cl)c2ccc(C)s2)cc1OC
InChIInChI=1S/C15H17ClO2S/c1-9-7-12(17-3)13(18-4)8-11(9)15(16)14-6-5-10(2)19-14/h5-8,15H,1-4H3
InChIKeyJELHPIKODUSECS-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.71
Rot. Bonds4

About 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene

2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene (PubChem CID 61084080) has the molecular formula C15H17ClO2S and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene
PubChem CID61084080
Molecular FormulaC15H17ClO2S
Molecular Weight296.82 g/mol
Exact Mass296.06
IUPAC Name2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene
SMILESCOc1cc(C)c(C(Cl)c2ccc(C)s2)cc1OC
InChIInChI=1S/C15H17ClO2S/c1-9-7-12(17-3)13(18-4)8-11(9)15(16)14-6-5-10(2)19-14/h5-8,15H,1-4H3
InChIKeyJELHPIKODUSECS-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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Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene (CID 61084080) is 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene is COc1cc(C)c(C(Cl)c2ccc(C)s2)cc1OC.
What is the InChIKey of 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene?
The InChIKey is JELHPIKODUSECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2S/c1-9-7-12(17-3)13(18-4)8-11(9)15(16)14-6-5-10(2)19-14/h5-8,15H,1-4H3.
What are the key properties of 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene?
2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene 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 2-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 61084080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).