2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone

C17H17NO2 — CID 669395

IUPAC2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-2-20-15-9-7-14(8-10-15)17(19)18-12-11-13-5-3-4-6-16(13)18/h3-10H,2,11-12H2,1H3
InChIKeyUVQVUDAOGXPIHC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.29
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone

2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone (PubChem CID 669395) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone
PubChem CID669395
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-2-20-15-9-7-14(8-10-15)17(19)18-12-11-13-5-3-4-6-16(13)18/h3-10H,2,11-12H2,1H3
InChIKeyUVQVUDAOGXPIHC-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone 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 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone (CID 669395) is 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone?
The InChIKey is UVQVUDAOGXPIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-20-15-9-7-14(8-10-15)17(19)18-12-11-13-5-3-4-6-16(13)18/h3-10H,2,11-12H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone?
2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 669395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).