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

C19H19NO — CID 3790476

IUPAC2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
SMILESCc1ccccc1-c1[nH]c2ccc(C(C)C)cc2c1C=O
InChIInChI=1S/C19H19NO/c1-12(2)14-8-9-18-16(10-14)17(11-21)19(20-18)15-7-5-4-6-13(15)3/h4-12,20H,1-3H3
InChIKeySISFHDPNVAYKAL-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.08
Rot. Bonds3

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

2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde (PubChem CID 3790476) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
PubChem CID3790476
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
SMILESCc1ccccc1-c1[nH]c2ccc(C(C)C)cc2c1C=O
InChIInChI=1S/C19H19NO/c1-12(2)14-8-9-18-16(10-14)17(11-21)19(20-18)15-7-5-4-6-13(15)3/h4-12,20H,1-3H3
InChIKeySISFHDPNVAYKAL-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde (CID 3790476) is 2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde is Cc1ccccc1-c1[nH]c2ccc(C(C)C)cc2c1C=O.
What is the InChIKey of 2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
The InChIKey is SISFHDPNVAYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-12(2)14-8-9-18-16(10-14)17(11-21)19(20-18)15-7-5-4-6-13(15)3/h4-12,20H,1-3H3.
What are the key properties of 2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde?
2-(2-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-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3790476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).