[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate

C19H17NO4 — CID 4238462

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17NO4/c1-13-6-2-5-9-18(13)23-12-19(22)24-11-17(21)15-10-20-16-8-4-3-7-14(15)16/h2-10,20H,11-12H2,1H3
InChIKeyWSRMPMGVNBSSJM-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.28
Rot. Bonds6

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 4238462) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID4238462
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17NO4/c1-13-6-2-5-9-18(13)23-12-19(22)24-11-17(21)15-10-20-16-8-4-3-7-14(15)16/h2-10,20H,11-12H2,1H3
InChIKeyWSRMPMGVNBSSJM-UHFFFAOYSA-N
XLogP3.28
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 4238462) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is WSRMPMGVNBSSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-6-2-5-9-18(13)23-12-19(22)24-11-17(21)15-10-20-16-8-4-3-7-14(15)16/h2-10,20H,11-12H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 323.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 4238462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).