5,7-dimethyl-2-(4-methylphenyl)-1H-indole

C17H17N — CID 131886944

IUPAC5,7-dimethyl-2-(4-methylphenyl)-1H-indole
SMILESCc1ccc(-c2cc3cc(C)cc(C)c3[nH]2)cc1
InChIInChI=1S/C17H17N/c1-11-4-6-14(7-5-11)16-10-15-9-12(2)8-13(3)17(15)18-16/h4-10,18H,1-3H3
InChIKeyOUOCYKAYBWSCLG-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.76
Rot. Bonds1

About 5,7-dimethyl-2-(4-methylphenyl)-1H-indole

5,7-dimethyl-2-(4-methylphenyl)-1H-indole (PubChem CID 131886944) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 5,7-dimethyl-2-(4-methylphenyl)-1H-indole.

Molecular Properties

Compound Name5,7-dimethyl-2-(4-methylphenyl)-1H-indole
PubChem CID131886944
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name5,7-dimethyl-2-(4-methylphenyl)-1H-indole
SMILESCc1ccc(-c2cc3cc(C)cc(C)c3[nH]2)cc1
InChIInChI=1S/C17H17N/c1-11-4-6-14(7-5-11)16-10-15-9-12(2)8-13(3)17(15)18-16/h4-10,18H,1-3H3
InChIKeyOUOCYKAYBWSCLG-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 5,7-dimethyl-2-(4-methylphenyl)-1H-indole?
The IUPAC name of 5,7-dimethyl-2-(4-methylphenyl)-1H-indole (CID 131886944) is 5,7-dimethyl-2-(4-methylphenyl)-1H-indole.
What is the SMILES notation for 5,7-dimethyl-2-(4-methylphenyl)-1H-indole?
The canonical SMILES for 5,7-dimethyl-2-(4-methylphenyl)-1H-indole is Cc1ccc(-c2cc3cc(C)cc(C)c3[nH]2)cc1.
What is the InChIKey of 5,7-dimethyl-2-(4-methylphenyl)-1H-indole?
The InChIKey is OUOCYKAYBWSCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-11-4-6-14(7-5-11)16-10-15-9-12(2)8-13(3)17(15)18-16/h4-10,18H,1-3H3.
What are the key properties of 5,7-dimethyl-2-(4-methylphenyl)-1H-indole?
5,7-dimethyl-2-(4-methylphenyl)-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 5,7-dimethyl-2-(4-methylphenyl)-1H-indole is sourced from PubChem (CID 131886944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).