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

C19H19NO — CID 3799068

IUPAC2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(C(C)C)cc3c2C=O)cc1
InChIInChI=1S/C19H19NO/c1-12(2)15-8-9-18-16(10-15)17(11-21)19(20-18)14-6-4-13(3)5-7-14/h4-12,20H,1-3H3
InChIKeyCXJOKSRPPVSQJD-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.08
Rot. Bonds3

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

2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde (PubChem CID 3799068) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
PubChem CID3799068
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(C(C)C)cc3c2C=O)cc1
InChIInChI=1S/C19H19NO/c1-12(2)15-8-9-18-16(10-15)17(11-21)19(20-18)14-6-4-13(3)5-7-14/h4-12,20H,1-3H3
InChIKeyCXJOKSRPPVSQJD-UHFFFAOYSA-N
XLogP5.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde (CID 3799068) is 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde is Cc1ccc(-c2[nH]c3ccc(C(C)C)cc3c2C=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
The InChIKey is CXJOKSRPPVSQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-12(2)15-8-9-18-16(10-15)17(11-21)19(20-18)14-6-4-13(3)5-7-14/h4-12,20H,1-3H3.
What are the key properties of 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde has a molecular weight of 277.37 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3799068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).