1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one

C21H25NO2 — CID 46772889

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
SMILESCc1cc(C)c(C)c(OC(C)C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C21H25NO2/c1-13-10-14(2)16(4)20(11-13)24-17(5)21(23)22-15(3)12-18-8-6-7-9-19(18)22/h6-11,15,17H,12H2,1-5H3
InChIKeyCNYDOWJECYSALL-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.36
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one (PubChem CID 46772889) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
PubChem CID46772889
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
SMILESCc1cc(C)c(C)c(OC(C)C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C21H25NO2/c1-13-10-14(2)16(4)20(11-13)24-17(5)21(23)22-15(3)12-18-8-6-7-9-19(18)22/h6-11,15,17H,12H2,1-5H3
InChIKeyCNYDOWJECYSALL-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide
CID 75865755
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92685321
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 7373194
2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 42968436
(2S)-2-(2-acetyl-5-methoxyphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 35796891
2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 43909683
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-methylbenzoate
CID 7717966
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-methylbenzoate
CID 11919735
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 7968273
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2S)-2-(4-methoxy-2-nitrophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7549141
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one (CID 46772889) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one is Cc1cc(C)c(C)c(OC(C)C(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one?
The InChIKey is CNYDOWJECYSALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-13-10-14(2)16(4)20(11-13)24-17(5)21(23)22-15(3)12-18-8-6-7-9-19(18)22/h6-11,15,17H,12H2,1-5H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one has a molecular weight of 323.44 g/mol, XLogP of 4.36, 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-(2,3,5-trimethylphenoxy)propan-1-one is sourced from PubChem (CID 46772889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).