1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one

C18H19NO2 — CID 2995987

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H19NO2/c1-13-12-15-8-6-7-11-17(15)19(13)18(20)14(2)21-16-9-4-3-5-10-16/h3-11,13-14H,12H2,1-2H3
InChIKeyYWUIREZIYLJWOE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.43
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one

1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one (PubChem CID 2995987) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one
PubChem CID2995987
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H19NO2/c1-13-12-15-8-6-7-11-17(15)19(13)18(20)14(2)21-16-9-4-3-5-10-16/h3-11,13-14H,12H2,1-2H3
InChIKeyYWUIREZIYLJWOE-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one (CID 2995987) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one?
The InChIKey is YWUIREZIYLJWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-12-15-8-6-7-11-17(15)19(13)18(20)14(2)21-16-9-4-3-5-10-16/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenoxypropan-1-one is sourced from PubChem (CID 2995987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).