2-[(2,3-dimethylphenyl)methyl]thiophene

C13H14S — CID 54195522

IUPAC2-[(2,3-dimethylphenyl)methyl]thiophene
SMILESCc1cccc(Cc2cccs2)c1C
InChIInChI=1S/C13H14S/c1-10-5-3-6-12(11(10)2)9-13-7-4-8-14-13/h3-8H,9H2,1-2H3
InChIKeyPLNNHXUMEQMNRO-UHFFFAOYSA-N
MW202.32 g/mol
LogP3.96
Rot. Bonds2

About 2-[(2,3-dimethylphenyl)methyl]thiophene

2-[(2,3-dimethylphenyl)methyl]thiophene (PubChem CID 54195522) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methyl]thiophene
PubChem CID54195522
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name2-[(2,3-dimethylphenyl)methyl]thiophene
SMILESCc1cccc(Cc2cccs2)c1C
InChIInChI=1S/C13H14S/c1-10-5-3-6-12(11(10)2)9-13-7-4-8-14-13/h3-8H,9H2,1-2H3
InChIKeyPLNNHXUMEQMNRO-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(2,3-dimethylphenyl)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-chloro-2-methylphenyl)methyl]thiophene
CID 174830599
2-methyl-3-(thiophen-2-ylmethyl)aniline
CID 39240617
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
sodium 2-(thiophen-2-ylmethyl)phenolate
CID 101328659
2-[2-(thiophen-2-ylmethyl)phenyl]ethanol
CID 11252951
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973203
2-methyl-5-(thiophen-2-ylmethyl)thiophene
CID 15537513
[1-(2,3-dimethylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105211766
2-(bromomethyl)thiophene
CID 11829978
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methyl]thiophene?
The IUPAC name of 2-[(2,3-dimethylphenyl)methyl]thiophene (CID 54195522) is 2-[(2,3-dimethylphenyl)methyl]thiophene.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methyl]thiophene?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methyl]thiophene is Cc1cccc(Cc2cccs2)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methyl]thiophene?
The InChIKey is PLNNHXUMEQMNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S/c1-10-5-3-6-12(11(10)2)9-13-7-4-8-14-13/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(2,3-dimethylphenyl)methyl]thiophene?
2-[(2,3-dimethylphenyl)methyl]thiophene has a molecular weight of 202.32 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)methyl]thiophene is sourced from PubChem (CID 54195522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).