ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol

C22H24N2O4 — CID 158401862

IUPACethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol
SMILESCCOC(=O)COc1cccc2[nH]c(C)cc12.Cc1cc2c(O)cccc2[nH]1
InChIInChI=1S/C13H15NO3.C9H9NO/c1-3-16-13(15)8-17-12-6-4-5-11-10(12)7-9(2)14-11;1-6-5-7-8(10-6)3-2-4-9(7)11/h4-7,14H,3,8H2,1-2H3;2-5,10-11H,1H3
InChIKeyGYEVSXXGNOYFNG-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.60
Rot. Bonds4

About ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol

ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol (PubChem CID 158401862) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol
PubChem CID158401862
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nameethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol
SMILESCCOC(=O)COc1cccc2[nH]c(C)cc12.Cc1cc2c(O)cccc2[nH]1
InChIInChI=1S/C13H15NO3.C9H9NO/c1-3-16-13(15)8-17-12-6-4-5-11-10(12)7-9(2)14-11;1-6-5-7-8(10-6)3-2-4-9(7)11/h4-7,14H,3,8H2,1-2H3;2-5,10-11H,1H3
InChIKeyGYEVSXXGNOYFNG-UHFFFAOYSA-N
XLogP4.60
TPSA87.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-ethoxy-2-methyl-1H-indole
CID 171088293
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 163771819
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl 2-(3-amino-2-fluorophenoxy)acetate
CID 141351730
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate
CID 66487495
ethyl 2-[2-acetyl-3-[3-[2-acetyl-3-(2-ethoxy-2-oxoethoxy)phenoxy]-2-hydroxypropoxy]phenoxy]acetate
CID 3086909
2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]acetamide
CID 132970429
2-methyl-4-[[(2S)-oxiran-2-yl]methoxy]-1H-indole;sulfane
CID 158839388

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol?
The IUPAC name of ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol (CID 158401862) is ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol.
What is the SMILES notation for ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol?
The canonical SMILES for ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol is CCOC(=O)COc1cccc2[nH]c(C)cc12.Cc1cc2c(O)cccc2[nH]1.
What is the InChIKey of ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol?
The InChIKey is GYEVSXXGNOYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3.C9H9NO/c1-3-16-13(15)8-17-12-6-4-5-11-10(12)7-9(2)14-11;1-6-5-7-8(10-6)3-2-4-9(7)11/h4-7,14H,3,8H2,1-2H3;2-5,10-11H,1H3.
What are the key properties of ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol?
ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol has a molecular weight of 380.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol is sourced from PubChem (CID 158401862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).