5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde

C17H14ClNO — CID 3699647

IUPAC5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(Cl)cc3c2C=O)c(C)c1
InChIInChI=1S/C17H14ClNO/c1-10-3-5-13(11(2)7-10)17-15(9-20)14-8-12(18)4-6-16(14)19-17/h3-9,19H,1-2H3
InChIKeyGGIDRMQECUQZHP-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.92
Rot. Bonds2

About 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde

5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde (PubChem CID 3699647) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
PubChem CID3699647
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(Cl)cc3c2C=O)c(C)c1
InChIInChI=1S/C17H14ClNO/c1-10-3-5-13(11(2)7-10)17-15(9-20)14-8-12(18)4-6-16(14)19-17/h3-9,19H,1-2H3
InChIKeyGGIDRMQECUQZHP-UHFFFAOYSA-N
XLogP4.92
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.92
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 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde (CID 3699647) is 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde is Cc1ccc(-c2[nH]c3ccc(Cl)cc3c2C=O)c(C)c1.
What is the InChIKey of 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is GGIDRMQECUQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-10-3-5-13(11(2)7-10)17-15(9-20)14-8-12(18)4-6-16(14)19-17/h3-9,19H,1-2H3.
What are the key properties of 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde?
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 283.76 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3699647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).