1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone

C18H19NO2 — CID 833324

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-2-14-7-9-16(10-8-14)21-13-18(20)19-12-11-15-5-3-4-6-17(15)19/h3-10H,2,11-13H2,1H3
InChIKeyCDMSAEQFRBYBDJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.22
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone (PubChem CID 833324) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
PubChem CID833324
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-2-14-7-9-16(10-8-14)21-13-18(20)19-12-11-15-5-3-4-6-17(15)19/h3-10H,2,11-13H2,1H3
InChIKeyCDMSAEQFRBYBDJ-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone (CID 833324) is 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone is CCc1ccc(OCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone?
The InChIKey is CDMSAEQFRBYBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-14-7-9-16(10-8-14)21-13-18(20)19-12-11-15-5-3-4-6-17(15)19/h3-10H,2,11-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone is sourced from PubChem (CID 833324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).