3-(2-chlorophenyl)-2,4-dimethylthiophene

C12H11ClS — CID 154275131

IUPAC3-(2-chlorophenyl)-2,4-dimethylthiophene
SMILESCc1csc(C)c1-c1ccccc1Cl
InChIInChI=1S/C12H11ClS/c1-8-7-14-9(2)12(8)10-5-3-4-6-11(10)13/h3-7H,1-2H3
InChIKeyNBBBIIKGYSSDJA-UHFFFAOYSA-N
MW222.74 g/mol
LogP4.69
Rot. Bonds1

About 3-(2-chlorophenyl)-2,4-dimethylthiophene

3-(2-chlorophenyl)-2,4-dimethylthiophene (PubChem CID 154275131) has the molecular formula C12H11ClS and a molecular weight of 222.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2,4-dimethylthiophene.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2,4-dimethylthiophene
PubChem CID154275131
Molecular FormulaC12H11ClS
Molecular Weight222.74 g/mol
Exact Mass222.03
IUPAC Name3-(2-chlorophenyl)-2,4-dimethylthiophene
SMILESCc1csc(C)c1-c1ccccc1Cl
InChIInChI=1S/C12H11ClS/c1-8-7-14-9(2)12(8)10-5-3-4-6-11(10)13/h3-7H,1-2H3
InChIKeyNBBBIIKGYSSDJA-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-2-methylthiophene
CID 18933115
2-(2-chlorophenyl)-3-methylaniline
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1-chloro-2-methylbenzene;ethene
CID 142088810
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
methyl 3-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172901
2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine
CID 71072779
4-(2-chlorophenyl)-2,5-dimethyl-1,3-thiazole
CID 18342389
CID 10879451
CID 10879451
3-(2-chlorophenyl)-4-methyl-1H-pyrrole
CID 142279790
3-(2,3-dichlorophenyl)-4-methylthiophene
CID 130088701
3-chloro-2-(2-chlorophenyl)phenol
CID 69117513
[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2,4-dimethylthiophene?
The IUPAC name of 3-(2-chlorophenyl)-2,4-dimethylthiophene (CID 154275131) is 3-(2-chlorophenyl)-2,4-dimethylthiophene.
What is the SMILES notation for 3-(2-chlorophenyl)-2,4-dimethylthiophene?
The canonical SMILES for 3-(2-chlorophenyl)-2,4-dimethylthiophene is Cc1csc(C)c1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2,4-dimethylthiophene?
The InChIKey is NBBBIIKGYSSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClS/c1-8-7-14-9(2)12(8)10-5-3-4-6-11(10)13/h3-7H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-2,4-dimethylthiophene?
3-(2-chlorophenyl)-2,4-dimethylthiophene has a molecular weight of 222.74 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2,4-dimethylthiophene is sourced from PubChem (CID 154275131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).