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

C19H21NO2 — CID 132650039

IUPAC1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C19H21NO2/c1-13-8-9-17(12-14(13)2)22-15(3)19(21)20-11-10-16-6-4-5-7-18(16)20/h4-9,12,15H,10-11H2,1-3H3
InChIKeyJNSQCGCTWLETNQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.66
Rot. Bonds3

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

1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one (PubChem CID 132650039) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
PubChem CID132650039
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C19H21NO2/c1-13-8-9-17(12-14(13)2)22-15(3)19(21)20-11-10-16-6-4-5-7-18(16)20/h4-9,12,15H,10-11H2,1-3H3
InChIKeyJNSQCGCTWLETNQ-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
(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
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
CID 8604781
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 7904659
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 42972023
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
(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
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 2661581

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one (CID 132650039) is 1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one is Cc1ccc(OC(C)C(=O)N2CCc3ccccc32)cc1C.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one?
The InChIKey is JNSQCGCTWLETNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-8-9-17(12-14(13)2)22-15(3)19(21)20-11-10-16-6-4-5-7-18(16)20/h4-9,12,15H,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one has a molecular weight of 295.38 g/mol, XLogP of 3.66, 3 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-(3,4-dimethylphenoxy)propan-1-one is sourced from PubChem (CID 132650039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).