2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone

C20H21NO3 — CID 18103454

IUPAC2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OCC1CCCO1)N1CCc2ccccc21
InChIInChI=1S/C20H21NO3/c22-20(21-12-11-15-6-1-3-9-18(15)21)17-8-2-4-10-19(17)24-14-16-7-5-13-23-16/h1-4,6,8-10,16H,5,7,11-14H2
InChIKeyULDOMVBNXUDRNX-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.45
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone

2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone (PubChem CID 18103454) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
PubChem CID18103454
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OCC1CCCO1)N1CCc2ccccc21
InChIInChI=1S/C20H21NO3/c22-20(21-12-11-15-6-1-3-9-18(15)21)17-8-2-4-10-19(17)24-14-16-7-5-13-23-16/h1-4,6,8-10,16H,5,7,11-14H2
InChIKeyULDOMVBNXUDRNX-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone
CID 54821154
2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124610969
[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124591399
[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51927276
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 18205239
[2-(oxolan-2-ylmethoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 42937228

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone (CID 18103454) is 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone is O=C(c1ccccc1OCC1CCCO1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone?
The InChIKey is ULDOMVBNXUDRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-20(21-12-11-15-6-1-3-9-18(15)21)17-8-2-4-10-19(17)24-14-16-7-5-13-23-16/h1-4,6,8-10,16H,5,7,11-14H2.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone?
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone has a molecular weight of 323.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 18103454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).