2-(3,4-dimethylphenyl)-5-methyl-1H-indole

C17H17N — CID 36688011

IUPAC2-(3,4-dimethylphenyl)-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(C)c(C)c3)cc2c1
InChIInChI=1S/C17H17N/c1-11-4-7-16-15(8-11)10-17(18-16)14-6-5-12(2)13(3)9-14/h4-10,18H,1-3H3
InChIKeyGYKPZIOCFQNRHY-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.76
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-5-methyl-1H-indole

2-(3,4-dimethylphenyl)-5-methyl-1H-indole (PubChem CID 36688011) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-methyl-1H-indole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-methyl-1H-indole
PubChem CID36688011
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-(3,4-dimethylphenyl)-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(C)c(C)c3)cc2c1
InChIInChI=1S/C17H17N/c1-11-4-7-16-15(8-11)10-17(18-16)14-6-5-12(2)13(3)9-14/h4-10,18H,1-3H3
InChIKeyGYKPZIOCFQNRHY-UHFFFAOYSA-N
XLogP4.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-methyl-1H-indole?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-methyl-1H-indole (CID 36688011) is 2-(3,4-dimethylphenyl)-5-methyl-1H-indole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-methyl-1H-indole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-methyl-1H-indole is Cc1ccc2[nH]c(-c3ccc(C)c(C)c3)cc2c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-methyl-1H-indole?
The InChIKey is GYKPZIOCFQNRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-11-4-7-16-15(8-11)10-17(18-16)14-6-5-12(2)13(3)9-14/h4-10,18H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-methyl-1H-indole?
2-(3,4-dimethylphenyl)-5-methyl-1H-indole has a molecular weight of 235.33 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-methyl-1H-indole is sourced from PubChem (CID 36688011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).