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

C19H21NO2 — CID 2971574

IUPAC3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C19H21NO2/c1-14-13-16-5-3-4-6-18(16)20(14)19(21)12-9-15-7-10-17(22-2)11-8-15/h3-8,10-11,14H,9,12-13H2,1-2H3
InChIKeyLZBRNWFWTJDQAW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.61
Rot. Bonds4

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

3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 2971574) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID2971574
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C19H21NO2/c1-14-13-16-5-3-4-6-18(16)20(14)19(21)12-9-15-7-10-17(22-2)11-8-15/h3-8,10-11,14H,9,12-13H2,1-2H3
InChIKeyLZBRNWFWTJDQAW-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 2971574) is 3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is COc1ccc(CCC(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is LZBRNWFWTJDQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-13-16-5-3-4-6-18(16)20(14)19(21)12-9-15-7-10-17(22-2)11-8-15/h3-8,10-11,14H,9,12-13H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 295.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 2971574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).