3-(3,5-dimethylphenyl)-1H-indole

C16H15N — CID 169241956

IUPAC3-(3,5-dimethylphenyl)-1H-indole
SMILESCc1cc(C)cc(-c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H15N/c1-11-7-12(2)9-13(8-11)15-10-17-16-6-4-3-5-14(15)16/h3-10,17H,1-2H3
InChIKeyJOTIQSLPIQESBH-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.45
Rot. Bonds1

About 3-(3,5-dimethylphenyl)-1H-indole

3-(3,5-dimethylphenyl)-1H-indole (PubChem CID 169241956) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1H-indole.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1H-indole
PubChem CID169241956
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3-(3,5-dimethylphenyl)-1H-indole
SMILESCc1cc(C)cc(-c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H15N/c1-11-7-12(2)9-13(8-11)15-10-17-16-6-4-3-5-14(15)16/h3-10,17H,1-2H3
InChIKeyJOTIQSLPIQESBH-UHFFFAOYSA-N
XLogP4.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1H-indole?
The IUPAC name of 3-(3,5-dimethylphenyl)-1H-indole (CID 169241956) is 3-(3,5-dimethylphenyl)-1H-indole.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1H-indole?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1H-indole is Cc1cc(C)cc(-c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1H-indole?
The InChIKey is JOTIQSLPIQESBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-11-7-12(2)9-13(8-11)15-10-17-16-6-4-3-5-14(15)16/h3-10,17H,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-1H-indole?
3-(3,5-dimethylphenyl)-1H-indole has a molecular weight of 221.30 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1H-indole is sourced from PubChem (CID 169241956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).