1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole

C19H21NO2 — CID 626468

IUPAC1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole
SMILESCCn1c(-c2ccc(OC)cc2)c(C)c2cc(OC)ccc21
InChIInChI=1S/C19H21NO2/c1-5-20-18-11-10-16(22-4)12-17(18)13(2)19(20)14-6-8-15(21-3)9-7-14/h6-12H,5H2,1-4H3
InChIKeyUTTXPSRSTNWYTF-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.65
Rot. Bonds4

About 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole

1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole (PubChem CID 626468) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole.

Molecular Properties

Compound Name1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole
PubChem CID626468
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole
SMILESCCn1c(-c2ccc(OC)cc2)c(C)c2cc(OC)ccc21
InChIInChI=1S/C19H21NO2/c1-5-20-18-11-10-16(22-4)12-17(18)13(2)19(20)14-6-8-15(21-3)9-7-14/h6-12H,5H2,1-4H3
InChIKeyUTTXPSRSTNWYTF-UHFFFAOYSA-N
XLogP4.65
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole?
The IUPAC name of 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole (CID 626468) is 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole.
What is the SMILES notation for 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole?
The canonical SMILES for 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole is CCn1c(-c2ccc(OC)cc2)c(C)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole?
The InChIKey is UTTXPSRSTNWYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-5-20-18-11-10-16(22-4)12-17(18)13(2)19(20)14-6-8-15(21-3)9-7-14/h6-12H,5H2,1-4H3.
What are the key properties of 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole?
1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole has a molecular weight of 295.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole is sourced from PubChem (CID 626468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).