1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole

C20H21NO3 — CID 71606867

IUPAC1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole
SMILESC=C(c1ccc2c(ccn2C)c1)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C20H21NO3/c1-13(14-6-8-17-15(12-14)10-11-21(17)2)16-7-9-18(22-3)20(24-5)19(16)23-4/h6-12H,1H2,2-5H3
InChIKeyGRJYMFREDFDIPB-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.27
Rot. Bonds5

About 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole

1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole (PubChem CID 71606867) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole.

Molecular Properties

Compound Name1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole
PubChem CID71606867
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole
SMILESC=C(c1ccc2c(ccn2C)c1)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C20H21NO3/c1-13(14-6-8-17-15(12-14)10-11-21(17)2)16-7-9-18(22-3)20(24-5)19(16)23-4/h6-12H,1H2,2-5H3
InChIKeyGRJYMFREDFDIPB-UHFFFAOYSA-N
XLogP4.27
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole?
The IUPAC name of 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole (CID 71606867) is 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole.
What is the SMILES notation for 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole?
The canonical SMILES for 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole is C=C(c1ccc2c(ccn2C)c1)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole?
The InChIKey is GRJYMFREDFDIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13(14-6-8-17-15(12-14)10-11-21(17)2)16-7-9-18(22-3)20(24-5)19(16)23-4/h6-12H,1H2,2-5H3.
What are the key properties of 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole?
1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole has a molecular weight of 323.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole is sourced from PubChem (CID 71606867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).