5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole

C19H21NO3 — CID 66726497

IUPAC5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
SMILESCOc1cc(CCc2ccc3[nH]ccc3c2)cc(OC)c1OC
InChIInChI=1S/C19H21NO3/c1-21-17-11-14(12-18(22-2)19(17)23-3)5-4-13-6-7-16-15(10-13)8-9-20-16/h6-12,20H,4-5H2,1-3H3
InChIKeyGRKFGZJFNQFINM-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.98
Rot. Bonds6

About 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole

5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole (PubChem CID 66726497) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole.

Molecular Properties

Compound Name5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
PubChem CID66726497
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
SMILESCOc1cc(CCc2ccc3[nH]ccc3c2)cc(OC)c1OC
InChIInChI=1S/C19H21NO3/c1-21-17-11-14(12-18(22-2)19(17)23-3)5-4-13-6-7-16-15(10-13)8-9-20-16/h6-12,20H,4-5H2,1-3H3
InChIKeyGRKFGZJFNQFINM-UHFFFAOYSA-N
XLogP3.98
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole?
The IUPAC name of 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole (CID 66726497) is 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole.
What is the SMILES notation for 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole?
The canonical SMILES for 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole is COc1cc(CCc2ccc3[nH]ccc3c2)cc(OC)c1OC.
What is the InChIKey of 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole?
The InChIKey is GRKFGZJFNQFINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-21-17-11-14(12-18(22-2)19(17)23-3)5-4-13-6-7-16-15(10-13)8-9-20-16/h6-12,20H,4-5H2,1-3H3.
What are the key properties of 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole?
5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole has a molecular weight of 311.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole is sourced from PubChem (CID 66726497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).