2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

C19H20ClNO2 — CID 94843290

IUPAC2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO2/c1-13-12-14-6-4-5-7-17(14)21(13)18(22)19(2,3)23-16-10-8-15(20)9-11-16/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeyMEJUAQHHSHWFSX-ZDUSSCGKSA-N
MW329.83 g/mol
LogP4.48
Rot. Bonds3

About 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 94843290) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID94843290
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO2/c1-13-12-14-6-4-5-7-17(14)21(13)18(22)19(2,3)23-16-10-8-15(20)9-11-16/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeyMEJUAQHHSHWFSX-ZDUSSCGKSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one with MolForge

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Related Compounds

(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108970085
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958516
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579429
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579431
[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1002513
2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 4840770
2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7751253
2-(4-fluorophenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197482
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 94843290) is 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is C[C@H]1Cc2ccccc2N1C(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is MEJUAQHHSHWFSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-13-12-14-6-4-5-7-17(14)21(13)18(22)19(2,3)23-16-10-8-15(20)9-11-16/h4-11,13H,12H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 329.83 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 94843290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).