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

C19H19NO3 — CID 7763850

IUPAC(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(=O)c1ccc(O[C@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H19NO3/c1-13(21)15-7-9-17(10-8-15)23-14(2)19(22)20-12-11-16-5-3-4-6-18(16)20/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyIFBVMOUUSYUDQT-CQSZACIVSA-N
MW309.37 g/mol
LogP3.25
Rot. Bonds4

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

(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 7763850) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID7763850
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(=O)c1ccc(O[C@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H19NO3/c1-13(21)15-7-9-17(10-8-15)23-14(2)19(22)20-12-11-16-5-3-4-6-18(16)20/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyIFBVMOUUSYUDQT-CQSZACIVSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
(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
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669
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
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate
CID 7196346
(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
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 2661530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 7763850) is (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(=O)c1ccc(O[C@H](C)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is IFBVMOUUSYUDQT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(21)15-7-9-17(10-8-15)23-14(2)19(22)20-12-11-16-5-3-4-6-18(16)20/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 309.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 7763850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).