Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate

Name: Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₇NO₃ — CID 131953222

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate

SMILESCOC(=O)Cc1c[nH]c2ccc(-c3ccccc3OC)cc12

InChIInChI=1S/C18H17NO3/c1-21-17-6-4-3-5-14(17)12-7-8-16-15(9-12)13(11-19-16)10-18(20)22-2/h3-9,11,19H,10H2,1-2H3

InChIKeyABAXCTGKASWLNN-UHFFFAOYSA-N

MW295.34 g/mol

LogP3.56

Rot. Bonds4

About Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate

Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate (PubChem CID 131953222) has the molecular formula C₁₈H₁₇NO₃ and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Name	Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate
PubChem CID	131953222
Molecular Formula	C₁₈H₁₇NO₃
Molecular Weight	295.34 g/mol
Exact Mass	295.12
IUPAC Name	methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate
SMILES	COC(=O)Cc1c[nH]c2ccc(-c3ccccc3OC)cc12
InChI	InChI=1S/C18H17NO3/c1-21-17-6-4-3-5-14(17)12-7-8-16-15(9-12)13(11-19-16)10-18(20)22-2/h3-9,11,19H,10H2,1-2H3
InChIKey	ABAXCTGKASWLNN-UHFFFAOYSA-N
XLogP	3.56
TPSA	51.32 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.34
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate?

The IUPAC name of Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate (CID 131953222) is methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate.

What is the SMILES notation for Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate?

The canonical SMILES for Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate is COC(=O)Cc1c[nH]c2ccc(-c3ccccc3OC)cc12.

What is the InChIKey of Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate?

The InChIKey is ABAXCTGKASWLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-17-6-4-3-5-14(17)12-7-8-16-15(9-12)13(11-19-16)10-18(20)22-2/h3-9,11,19H,10H2,1-2H3.

What are the key properties of Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate?

Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate has a molecular weight of 295.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 131953222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 131953222 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.