2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

C24H21NO3 — CID 4878962

IUPAC2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H21NO3/c1-17(24(27)25-16-15-18-7-5-6-10-22(18)25)28-21-13-11-20(12-14-21)23(26)19-8-3-2-4-9-19/h2-14,17H,15-16H2,1H3
InChIKeyLBLYJJLCEZTEJC-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 4878962) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID4878962
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H21NO3/c1-17(24(27)25-16-15-18-7-5-6-10-22(18)25)28-21-13-11-20(12-14-21)23(26)19-8-3-2-4-9-19/h2-14,17H,15-16H2,1H3
InChIKeyLBLYJJLCEZTEJC-UHFFFAOYSA-N
XLogP4.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
CID 8604781
(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26075972
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 2661465
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 4878962) is 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is LBLYJJLCEZTEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-17(24(27)25-16-15-18-7-5-6-10-22(18)25)28-21-13-11-20(12-14-21)23(26)19-8-3-2-4-9-19/h2-14,17H,15-16H2,1H3.
What are the key properties of 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 371.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 4878962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).