2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole

C21H25NO2 — CID 13415867

IUPAC2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole
SMILESCCCn1c(CC)c(-c2ccc(OC)cc2)c2ccc(OC)cc21
InChIInChI=1S/C21H25NO2/c1-5-13-22-19(6-2)21(15-7-9-16(23-3)10-8-15)18-12-11-17(24-4)14-20(18)22/h7-12,14H,5-6,13H2,1-4H3
InChIKeyKCYNOXQBNLMFRF-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.30
Rot. Bonds6

About 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole

2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole (PubChem CID 13415867) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole.

Molecular Properties

Compound Name2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole
PubChem CID13415867
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole
SMILESCCCn1c(CC)c(-c2ccc(OC)cc2)c2ccc(OC)cc21
InChIInChI=1S/C21H25NO2/c1-5-13-22-19(6-2)21(15-7-9-16(23-3)10-8-15)18-12-11-17(24-4)14-20(18)22/h7-12,14H,5-6,13H2,1-4H3
InChIKeyKCYNOXQBNLMFRF-UHFFFAOYSA-N
XLogP5.30
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole?
The IUPAC name of 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole (CID 13415867) is 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole.
What is the SMILES notation for 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole?
The canonical SMILES for 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole is CCCn1c(CC)c(-c2ccc(OC)cc2)c2ccc(OC)cc21.
What is the InChIKey of 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole?
The InChIKey is KCYNOXQBNLMFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-5-13-22-19(6-2)21(15-7-9-16(23-3)10-8-15)18-12-11-17(24-4)14-20(18)22/h7-12,14H,5-6,13H2,1-4H3.
What are the key properties of 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole?
2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole has a molecular weight of 323.44 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole is sourced from PubChem (CID 13415867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).