3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde

C18H15Cl2NO2 — CID 22669611

IUPAC3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde
SMILESCC(C)c1c[nH]c2ccc(Oc3c(Cl)cc(C=O)cc3Cl)cc12
InChIInChI=1S/C18H15Cl2NO2/c1-10(2)14-8-21-17-4-3-12(7-13(14)17)23-18-15(19)5-11(9-22)6-16(18)20/h3-10,21H,1-2H3
InChIKeyZUPQYLFLLODONG-UHFFFAOYSA-N
MW348.23 g/mol
LogP6.20
Rot. Bonds4

About 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde

3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde (PubChem CID 22669611) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde
PubChem CID22669611
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde
SMILESCC(C)c1c[nH]c2ccc(Oc3c(Cl)cc(C=O)cc3Cl)cc12
InChIInChI=1S/C18H15Cl2NO2/c1-10(2)14-8-21-17-4-3-12(7-13(14)17)23-18-15(19)5-11(9-22)6-16(18)20/h3-10,21H,1-2H3
InChIKeyZUPQYLFLLODONG-UHFFFAOYSA-N
XLogP6.20
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde?
The IUPAC name of 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde (CID 22669611) is 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde.
What is the SMILES notation for 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde?
The canonical SMILES for 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde is CC(C)c1c[nH]c2ccc(Oc3c(Cl)cc(C=O)cc3Cl)cc12.
What is the InChIKey of 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde?
The InChIKey is ZUPQYLFLLODONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-10(2)14-8-21-17-4-3-12(7-13(14)17)23-18-15(19)5-11(9-22)6-16(18)20/h3-10,21H,1-2H3.
What are the key properties of 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde?
3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde has a molecular weight of 348.23 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]benzaldehyde is sourced from PubChem (CID 22669611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).