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

C17H16ClNO2 — CID 7425461

IUPAC(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16ClNO2/c1-12(21-16-9-5-3-7-14(16)18)17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyPPNRSCSNOMKYNH-GFCCVEGCSA-N
MW301.77 g/mol
LogP3.70
Rot. Bonds3

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

(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 7425461) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID7425461
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16ClNO2/c1-12(21-16-9-5-3-7-14(16)18)17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyPPNRSCSNOMKYNH-GFCCVEGCSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2708811
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-chlorobenzoate
CID 2078561
1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 39641255
1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132663330
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)propan-1-one
CID 2976581
(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
(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] 2,5-dichlorobenzoate
CID 2661564

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 7425461) is (2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is C[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is PPNRSCSNOMKYNH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12(21-16-9-5-3-7-14(16)18)17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 301.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 7425461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).