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

C17H15NO — CID 3268343

IUPAC2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(C)c(-c2[nH]c3ccccc3c2C=O)c1
InChIInChI=1S/C17H15NO/c1-11-7-8-12(2)14(9-11)17-15(10-19)13-5-3-4-6-16(13)18-17/h3-10,18H,1-2H3
InChIKeyKXTKWYFVMVNZJZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.26
Rot. Bonds2

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

2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde (PubChem CID 3268343) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
PubChem CID3268343
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(C)c(-c2[nH]c3ccccc3c2C=O)c1
InChIInChI=1S/C17H15NO/c1-11-7-8-12(2)14(9-11)17-15(10-19)13-5-3-4-6-16(13)18-17/h3-10,18H,1-2H3
InChIKeyKXTKWYFVMVNZJZ-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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Related Compounds

2-(2,4-dimethylphenyl)-1H-benzo[g]indole-3-carbaldehyde
CID 3695838
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647
2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3790476
5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde
CID 3776362
2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3655260
2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde
CID 87406474
3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 3428131
2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol
CID 172970561
5-methyl-11H-benzo[a]carbazole
CID 6454977
2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
CID 58794450
2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde
CID 53392369
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde (CID 3268343) is 2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde is Cc1ccc(C)c(-c2[nH]c3ccccc3c2C=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is KXTKWYFVMVNZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-11-7-8-12(2)14(9-11)17-15(10-19)13-5-3-4-6-16(13)18-17/h3-10,18H,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde?
2-(2,5-dimethylphenyl)-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 2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3268343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).