1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one

C20H21NO3 — CID 955252

IUPAC1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12
InChIInChI=1S/C20H21NO3/c1-3-18(22)16-14-21(17-9-5-4-8-15(16)17)12-13-24-20-11-7-6-10-19(20)23-2/h4-11,14H,3,12-13H2,1-2H3
InChIKeyLZCXIDPCBSLNGS-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.32
Rot. Bonds7

About 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one

1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one (PubChem CID 955252) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one
PubChem CID955252
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12
InChIInChI=1S/C20H21NO3/c1-3-18(22)16-14-21(17-9-5-4-8-15(16)17)12-13-24-20-11-7-6-10-19(20)23-2/h4-11,14H,3,12-13H2,1-2H3
InChIKeyLZCXIDPCBSLNGS-UHFFFAOYSA-N
XLogP4.32
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one?
The IUPAC name of 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one (CID 955252) is 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one is CCC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12.
What is the InChIKey of 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one?
The InChIKey is LZCXIDPCBSLNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-18(22)16-14-21(17-9-5-4-8-15(16)17)12-13-24-20-11-7-6-10-19(20)23-2/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one?
1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one has a molecular weight of 323.39 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]propan-1-one is sourced from PubChem (CID 955252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).