4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde

C16H11Cl2NO2 — CID 87204536

IUPAC4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2c(Oc3cccc(Cl)c3Cl)cccc21
InChIInChI=1S/C16H11Cl2NO2/c1-19-8-10(9-20)15-12(19)5-3-6-13(15)21-14-7-2-4-11(17)16(14)18/h2-9H,1H3
InChIKeyVWSSDBJNKYRJOB-UHFFFAOYSA-N
MW320.18 g/mol
LogP5.09
Rot. Bonds3

About 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde

4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde (PubChem CID 87204536) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde
PubChem CID87204536
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2c(Oc3cccc(Cl)c3Cl)cccc21
InChIInChI=1S/C16H11Cl2NO2/c1-19-8-10(9-20)15-12(19)5-3-6-13(15)21-14-7-2-4-11(17)16(14)18/h2-9H,1H3
InChIKeyVWSSDBJNKYRJOB-UHFFFAOYSA-N
XLogP5.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.18
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,3-dichlorophenoxy)-1-methylindole-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

2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate
CID 71536274
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde
CID 59805785
4-chloro-1-ethylindole-3-carbaldehyde
CID 117119713
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
ethyl 3-[4-(4-chloro-3-fluorophenoxy)-1-methylindol-3-yl]prop-2-enoate
CID 66917796
2,3-dichlorobenzaldehyde;methanol
CID 162040206
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
5-chloro-1-methylquinolin-4-one
CID 122129798
5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one
CID 50943945
3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde
CID 114067263

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde?
The IUPAC name of 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde (CID 87204536) is 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde is Cn1cc(C=O)c2c(Oc3cccc(Cl)c3Cl)cccc21.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde?
The InChIKey is VWSSDBJNKYRJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-19-8-10(9-20)15-12(19)5-3-6-13(15)21-14-7-2-4-11(17)16(14)18/h2-9H,1H3.
What are the key properties of 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde?
4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde has a molecular weight of 320.18 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 87204536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).