1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde

C19H19NO — CID 102910928

IUPAC1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
SMILESCc1cc(C)c(Cn2ccc3ccc(C=O)cc32)c(C)c1
InChIInChI=1S/C19H19NO/c1-13-8-14(2)18(15(3)9-13)11-20-7-6-17-5-4-16(12-21)10-19(17)20/h4-10,12H,11H2,1-3H3
InChIKeyNVBISQFSPGRWCW-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.43
Rot. Bonds3

About 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde

1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde (PubChem CID 102910928) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde.

Molecular Properties

Compound Name1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
PubChem CID102910928
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
SMILESCc1cc(C)c(Cn2ccc3ccc(C=O)cc32)c(C)c1
InChIInChI=1S/C19H19NO/c1-13-8-14(2)18(15(3)9-13)11-20-7-6-17-5-4-16(12-21)10-19(17)20/h4-10,12H,11H2,1-3H3
InChIKeyNVBISQFSPGRWCW-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3-methylphenyl)methyl]indole-6-carbaldehyde
CID 17221168
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304
1-[(E)-but-2-enyl]indole-6-carbaldehyde
CID 102910985
1-butylindole-6-carbaldehyde
CID 102910960
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
CID 102909906
1-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092
5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 116619570
2-(6-formylindol-1-yl)acetamide
CID 28958282
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indole-6-carbaldehyde
CID 102910940
1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
CID 102911050
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde
CID 102911290

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde?
The IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde (CID 102910928) is 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde.
What is the SMILES notation for 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde?
The canonical SMILES for 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde is Cc1cc(C)c(Cn2ccc3ccc(C=O)cc32)c(C)c1.
What is the InChIKey of 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde?
The InChIKey is NVBISQFSPGRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-8-14(2)18(15(3)9-13)11-20-7-6-17-5-4-16(12-21)10-19(17)20/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde?
1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde has a molecular weight of 277.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde is sourced from PubChem (CID 102910928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).