7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde

C17H14ClNO — CID 123197725

IUPAC7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde
SMILESCCc1ccccc1-c1[nH]c2c(Cl)cccc2c1C=O
InChIInChI=1S/C17H14ClNO/c1-2-11-6-3-4-7-12(11)16-14(10-20)13-8-5-9-15(18)17(13)19-16/h3-10,19H,2H2,1H3
InChIKeyPRRZMDMZKNQYNT-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.86
Rot. Bonds3

About 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde

7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde (PubChem CID 123197725) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde
PubChem CID123197725
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde
SMILESCCc1ccccc1-c1[nH]c2c(Cl)cccc2c1C=O
InChIInChI=1S/C17H14ClNO/c1-2-11-6-3-4-7-12(11)16-14(10-20)13-8-5-9-15(18)17(13)19-16/h3-10,19H,2H2,1H3
InChIKeyPRRZMDMZKNQYNT-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

7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
CID 3823757
2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3826061
2-tert-butyl-7-chloro-1H-indole-3-carbaldehyde
CID 3796978
7-chloro-2-methoxy-1H-indole-3-carbaldehyde
CID 82394981
7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 3798198
2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
CID 3829817
7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde
CID 123353144
4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 3460263
5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
2-(2,3-difluorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 87405106
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde (CID 123197725) is 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde is CCc1ccccc1-c1[nH]c2c(Cl)cccc2c1C=O.
What is the InChIKey of 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is PRRZMDMZKNQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-2-11-6-3-4-7-12(11)16-14(10-20)13-8-5-9-15(18)17(13)19-16/h3-10,19H,2H2,1H3.
What are the key properties of 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde?
7-chloro-2-(2-ethylphenyl)-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 7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 123197725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).