4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde

C16H10Cl3NO2 — CID 118804955

IUPAC4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde
SMILESCOc1c(-c2ccc(Cl)c(Cl)c2Cl)ccc2[nH]cc(C=O)c12
InChIInChI=1S/C16H10Cl3NO2/c1-22-16-10(9-2-4-11(17)15(19)14(9)18)3-5-12-13(16)8(7-21)6-20-12/h2-7,20H,1H3
InChIKeyPVNKONAEUODJHY-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.62
Rot. Bonds3

About 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde

4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde (PubChem CID 118804955) has the molecular formula C16H10Cl3NO2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde
PubChem CID118804955
Molecular FormulaC16H10Cl3NO2
Molecular Weight354.62 g/mol
Exact Mass352.98
IUPAC Name4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde
SMILESCOc1c(-c2ccc(Cl)c(Cl)c2Cl)ccc2[nH]cc(C=O)c12
InChIInChI=1S/C16H10Cl3NO2/c1-22-16-10(9-2-4-11(17)15(19)14(9)18)3-5-12-13(16)8(7-21)6-20-12/h2-7,20H,1H3
InChIKeyPVNKONAEUODJHY-UHFFFAOYSA-N
XLogP5.62
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-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

4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde
CID 118833060
1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene
CID 54485127
4-hydroxy-6-(2,3,6-trichlorophenyl)-1H-indole-3-carbaldehyde
CID 118810434
4,5-diiodo-1H-indole-3-carbaldehyde
CID 14059125
4,5-dichloro-1H-indole-3-sulfonyl chloride
CID 82374073
5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carbaldehyde
CID 162519676
4-acetyl-5-bromo-1H-indole-3-carbaldehyde
CID 23402171
5-chloro-3-methoxy-1H-indole-2-carbaldehyde
CID 82394983
2-acetyl-4-chloro-3-methoxybenzaldehyde
CID 171002186
1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
CID 82622105
6-chloro-1H-indole-3-carbaldehyde
CID 12614669
2-(5-methoxy-1H-indol-3-yl)benzaldehyde
CID 45485466

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde (CID 118804955) is 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde is COc1c(-c2ccc(Cl)c(Cl)c2Cl)ccc2[nH]cc(C=O)c12.
What is the InChIKey of 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde?
The InChIKey is PVNKONAEUODJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO2/c1-22-16-10(9-2-4-11(17)15(19)14(9)18)3-5-12-13(16)8(7-21)6-20-12/h2-7,20H,1H3.
What are the key properties of 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde?
4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde has a molecular weight of 354.62 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 118804955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).