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

C18H18BrNO2 — CID 42968436

IUPAC2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H18BrNO2/c1-12-11-14-5-3-4-6-17(14)20(12)18(21)13(2)22-16-9-7-15(19)8-10-16/h3-10,12-13H,11H2,1-2H3
InChIKeyUYZMZEVVBTZSIM-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.19
Rot. Bonds3

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

2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 42968436) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID42968436
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H18BrNO2/c1-12-11-14-5-3-4-6-17(14)20(12)18(21)13(2)22-16-9-7-15(19)8-10-16/h3-10,12-13H,11H2,1-2H3
InChIKeyUYZMZEVVBTZSIM-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92685321
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476817
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2S)-2-(2-acetyl-5-methoxyphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 35796891
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 46772889
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
(2S)-2-(4-methoxy-2-nitrophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7549141
(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)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 94013099
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980296
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 8904879

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 42968436) is 2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is CC(Oc1ccc(Br)cc1)C(=O)N1c2ccccc2CC1C.
What is the InChIKey of 2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is UYZMZEVVBTZSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-12-11-14-5-3-4-6-17(14)20(12)18(21)13(2)22-16-9-7-15(19)8-10-16/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 360.25 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 42968436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).