2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde

C20H21NO — CID 3655260

IUPAC2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(C(C)C)cc3c2C=O)c(C)c1
InChIInChI=1S/C20H21NO/c1-12(2)15-6-8-19-17(10-15)18(11-22)20(21-19)16-7-5-13(3)9-14(16)4/h5-12,21H,1-4H3
InChIKeyJGICQZQEAFKPEP-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.39
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde

2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde (PubChem CID 3655260) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
PubChem CID3655260
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(C(C)C)cc3c2C=O)c(C)c1
InChIInChI=1S/C20H21NO/c1-12(2)15-6-8-19-17(10-15)18(11-22)20(21-19)16-7-5-13(3)9-14(16)4/h5-12,21H,1-4H3
InChIKeyJGICQZQEAFKPEP-UHFFFAOYSA-N
XLogP5.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.39
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 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde (CID 3655260) is 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde is Cc1ccc(-c2[nH]c3ccc(C(C)C)cc3c2C=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
The InChIKey is JGICQZQEAFKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-12(2)15-6-8-19-17(10-15)18(11-22)20(21-19)16-7-5-13(3)9-14(16)4/h5-12,21H,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde has a molecular weight of 291.39 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3655260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).