(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H21NO5 — CID 11291211

IUPAC(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C20H21NO5/c1-5-26-13-6-7-14-15(11-21-16(14)10-13)19(22)12-8-17(23-2)20(25-4)18(9-12)24-3/h6-11,21H,5H2,1-4H3
InChIKeyYFRRRINCSDAZIR-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.82
Rot. Bonds7

About (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11291211) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11291211
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C20H21NO5/c1-5-26-13-6-7-14-15(11-21-16(14)10-13)19(22)12-8-17(23-2)20(25-4)18(9-12)24-3/h6-11,21H,5H2,1-4H3
InChIKeyYFRRRINCSDAZIR-UHFFFAOYSA-N
XLogP3.82
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 11291211) is (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is CCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1.
What is the InChIKey of (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YFRRRINCSDAZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-5-26-13-6-7-14-15(11-21-16(14)10-13)19(22)12-8-17(23-2)20(25-4)18(9-12)24-3/h6-11,21H,5H2,1-4H3.
What are the key properties of (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 355.39 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11291211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).