2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde

C17H14ClNO — CID 3826061

IUPAC2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
SMILESCCc1ccc2[nH]c(-c3ccccc3Cl)c(C=O)c2c1
InChIInChI=1S/C17H14ClNO/c1-2-11-7-8-16-13(9-11)14(10-20)17(19-16)12-5-3-4-6-15(12)18/h3-10,19H,2H2,1H3
InChIKeyUTDGOIWGYHYJJL-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.86
Rot. Bonds3

About 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde

2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde (PubChem CID 3826061) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
PubChem CID3826061
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
SMILESCCc1ccc2[nH]c(-c3ccccc3Cl)c(C=O)c2c1
InChIInChI=1S/C17H14ClNO/c1-2-11-7-8-16-13(9-11)14(10-20)17(19-16)12-5-3-4-6-15(12)18/h3-10,19H,2H2,1H3
InChIKeyUTDGOIWGYHYJJL-UHFFFAOYSA-N
XLogP4.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.86
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-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3834482
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3712734
2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3777313
7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde
CID 123197725
5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
2-(4-ethylphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3736320
2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3790476
2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
CID 3829817
5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
CID 4209000
4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 3460263
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde (CID 3826061) is 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde is CCc1ccc2[nH]c(-c3ccccc3Cl)c(C=O)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde?
The InChIKey is UTDGOIWGYHYJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-2-11-7-8-16-13(9-11)14(10-20)17(19-16)12-5-3-4-6-15(12)18/h3-10,19H,2H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde?
2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde has a molecular weight of 283.76 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3826061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).