1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one

C18H19NO3 — CID 4943179

IUPAC1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
SMILESCOc1ccccc1OC(C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H19NO3/c1-13(22-17-10-6-5-9-16(17)21-2)18(20)19-12-11-14-7-3-4-8-15(14)19/h3-10,13H,11-12H2,1-2H3
InChIKeyYBLAZQJUAFJXGR-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.05
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one

1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one (PubChem CID 4943179) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
PubChem CID4943179
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
SMILESCOc1ccccc1OC(C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H19NO3/c1-13(22-17-10-6-5-9-16(17)21-2)18(20)19-12-11-14-7-3-4-8-15(14)19/h3-10,13H,11-12H2,1-2H3
InChIKeyYBLAZQJUAFJXGR-UHFFFAOYSA-N
XLogP3.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461
(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2708811
2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 31038832
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)propan-1-one
CID 2976581
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 40746157
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 42900917
(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26075972
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7558649

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one (CID 4943179) is 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one is COc1ccccc1OC(C)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one?
The InChIKey is YBLAZQJUAFJXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(22-17-10-6-5-9-16(17)21-2)18(20)19-12-11-14-7-3-4-8-15(14)19/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one has a molecular weight of 297.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 4943179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).