6-methyl-2-(2-methylphenyl)-1-benzothiophene

C16H14S — CID 142624987

IUPAC6-methyl-2-(2-methylphenyl)-1-benzothiophene
SMILESCc1ccc2cc(-c3ccccc3C)sc2c1
InChIInChI=1S/C16H14S/c1-11-7-8-13-10-16(17-15(13)9-11)14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChIKeyKUHYSELMJFKBHJ-UHFFFAOYSA-N
MW238.35 g/mol
LogP5.19
Rot. Bonds1

About 6-methyl-2-(2-methylphenyl)-1-benzothiophene

6-methyl-2-(2-methylphenyl)-1-benzothiophene (PubChem CID 142624987) has the molecular formula C16H14S and a molecular weight of 238.35 g/mol. Its IUPAC name is 6-methyl-2-(2-methylphenyl)-1-benzothiophene.

Molecular Properties

Compound Name6-methyl-2-(2-methylphenyl)-1-benzothiophene
PubChem CID142624987
Molecular FormulaC16H14S
Molecular Weight238.35 g/mol
Exact Mass238.08
IUPAC Name6-methyl-2-(2-methylphenyl)-1-benzothiophene
SMILESCc1ccc2cc(-c3ccccc3C)sc2c1
InChIInChI=1S/C16H14S/c1-11-7-8-13-10-16(17-15(13)9-11)14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChIKeyKUHYSELMJFKBHJ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.35
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-2-(2-methylphenyl)-1-benzothiophene 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-(4-bromonaphthalen-1-yl)-6-methyl-1-benzothiophene
CID 165345944
[2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol
CID 172649831
5-(6-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 115113658
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene
CID 143438669
1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine
CID 115109869
(6-methyl-1-benzothiophen-2-yl) formate
CID 142735292
3-fluoro-5-(2-methylphenyl)thiophen-2-amine
CID 175365209
3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde
CID 150115001
6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene
CID 117185899
sodium;bis(carbon dioxide);2,6-dimethyl-1-benzothiophene;2-methyl-1-benzothiophene;hydroxide
CID 158311681
2-methylnaphthalene;1,2-xylene
CID 142041411

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylphenyl)-1-benzothiophene?
The IUPAC name of 6-methyl-2-(2-methylphenyl)-1-benzothiophene (CID 142624987) is 6-methyl-2-(2-methylphenyl)-1-benzothiophene.
What is the SMILES notation for 6-methyl-2-(2-methylphenyl)-1-benzothiophene?
The canonical SMILES for 6-methyl-2-(2-methylphenyl)-1-benzothiophene is Cc1ccc2cc(-c3ccccc3C)sc2c1.
What is the InChIKey of 6-methyl-2-(2-methylphenyl)-1-benzothiophene?
The InChIKey is KUHYSELMJFKBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-11-7-8-13-10-16(17-15(13)9-11)14-6-4-3-5-12(14)2/h3-10H,1-2H3.
What are the key properties of 6-methyl-2-(2-methylphenyl)-1-benzothiophene?
6-methyl-2-(2-methylphenyl)-1-benzothiophene has a molecular weight of 238.35 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylphenyl)-1-benzothiophene is sourced from PubChem (CID 142624987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).