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

C20H23NO2 — CID 100735493

IUPAC3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2c3ccccc3C[C@@H]2C)cc1C
InChIInChI=1S/C20H23NO2/c1-14-12-16(8-10-19(14)23-3)9-11-20(22)21-15(2)13-17-6-4-5-7-18(17)21/h4-8,10,12,15H,9,11,13H2,1-3H3/t15-/m0/s1
InChIKeyJEQKTKCQDIIYIK-HNNXBMFYSA-N
MW309.41 g/mol
LogP3.91
Rot. Bonds4

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

3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 100735493) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID100735493
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2c3ccccc3C[C@@H]2C)cc1C
InChIInChI=1S/C20H23NO2/c1-14-12-16(8-10-19(14)23-3)9-11-20(22)21-15(2)13-17-6-4-5-7-18(17)21/h4-8,10,12,15H,9,11,13H2,1-3H3/t15-/m0/s1
InChIKeyJEQKTKCQDIIYIK-HNNXBMFYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109002750
4-methoxy-3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 43900251
4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide
CID 133178573
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8928761
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 133199873
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 19686724
3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 7894130
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 133239338
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586805

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 100735493) is 3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is COc1ccc(CCC(=O)N2c3ccccc3C[C@@H]2C)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is JEQKTKCQDIIYIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-12-16(8-10-19(14)23-3)9-11-20(22)21-15(2)13-17-6-4-5-7-18(17)21/h4-8,10,12,15H,9,11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 100735493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).