methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate

C17H15NO3 — CID 56970783

IUPACmethyl 2-[4-(1H-indol-2-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H15NO3/c1-20-17(19)11-21-14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)18-16/h2-10,18H,11H2,1H3
InChIKeyWDZKHNGUXNMYIF-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.39
Rot. Bonds4

About methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate

methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate (PubChem CID 56970783) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1H-indol-2-yl)phenoxy]acetate
PubChem CID56970783
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 2-[4-(1H-indol-2-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H15NO3/c1-20-17(19)11-21-14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)18-16/h2-10,18H,11H2,1H3
InChIKeyWDZKHNGUXNMYIF-UHFFFAOYSA-N
XLogP3.39
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate (CID 56970783) is methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate is COC(=O)COc1ccc(-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate?
The InChIKey is WDZKHNGUXNMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-17(19)11-21-14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)18-16/h2-10,18H,11H2,1H3.
What are the key properties of methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate?
methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate has a molecular weight of 281.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1H-indol-2-yl)phenoxy]acetate is sourced from PubChem (CID 56970783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).