3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole

C22H26ClNO — CID 56608954

IUPAC3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole
SMILESCCCn1c(C)c(-c2ccccc2Cl)c2cc(OC(C)(C)C)ccc21
InChIInChI=1S/C22H26ClNO/c1-6-13-24-15(2)21(17-9-7-8-10-19(17)23)18-14-16(11-12-20(18)24)25-22(3,4)5/h7-12,14H,6,13H2,1-5H3
InChIKeyUJNPYGXYFNGOPI-UHFFFAOYSA-N
MW355.91 g/mol
LogP6.86
Rot. Bonds4

About 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole

3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole (PubChem CID 56608954) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole
PubChem CID56608954
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC Name3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole
SMILESCCCn1c(C)c(-c2ccccc2Cl)c2cc(OC(C)(C)C)ccc21
InChIInChI=1S/C22H26ClNO/c1-6-13-24-15(2)21(17-9-7-8-10-19(17)23)18-14-16(11-12-20(18)24)25-22(3,4)5/h7-12,14H,6,13H2,1-5H3
InChIKeyUJNPYGXYFNGOPI-UHFFFAOYSA-N
XLogP6.86
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole?
The IUPAC name of 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole (CID 56608954) is 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole.
What is the SMILES notation for 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole?
The canonical SMILES for 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole is CCCn1c(C)c(-c2ccccc2Cl)c2cc(OC(C)(C)C)ccc21.
What is the InChIKey of 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole?
The InChIKey is UJNPYGXYFNGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO/c1-6-13-24-15(2)21(17-9-7-8-10-19(17)23)18-14-16(11-12-20(18)24)25-22(3,4)5/h7-12,14H,6,13H2,1-5H3.
What are the key properties of 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole?
3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole has a molecular weight of 355.91 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole is sourced from PubChem (CID 56608954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).