5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde

C17H15NO — CID 3745756

IUPAC5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(C)cc3c2C=O)cc1
InChIInChI=1S/C17H15NO/c1-11-3-6-13(7-4-11)17-15(10-19)14-9-12(2)5-8-16(14)18-17/h3-10,18H,1-2H3
InChIKeyHRYXXVTZSHXDIJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.26
Rot. Bonds2

About 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde

5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde (PubChem CID 3745756) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde
PubChem CID3745756
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(C)cc3c2C=O)cc1
InChIInChI=1S/C17H15NO/c1-11-3-6-13(7-4-11)17-15(10-19)14-9-12(2)5-8-16(14)18-17/h3-10,18H,1-2H3
InChIKeyHRYXXVTZSHXDIJ-UHFFFAOYSA-N
XLogP4.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde (CID 3745756) is 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde is Cc1ccc(-c2[nH]c3ccc(C)cc3c2C=O)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is HRYXXVTZSHXDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-11-3-6-13(7-4-11)17-15(10-19)14-9-12(2)5-8-16(14)18-17/h3-10,18H,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde?
5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3745756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).