1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone

C18H19NO2 — CID 19798381

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H19NO2/c1-13-7-3-6-10-17(13)21-12-18(20)19-14(2)11-15-8-4-5-9-16(15)19/h3-10,14H,11-12H2,1-2H3
InChIKeyRJFSYTVNFPJZSF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone (PubChem CID 19798381) 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-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
PubChem CID19798381
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H19NO2/c1-13-7-3-6-10-17(13)21-12-18(20)19-14(2)11-15-8-4-5-9-16(15)19/h3-10,14H,11-12H2,1-2H3
InChIKeyRJFSYTVNFPJZSF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
N-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867316
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
N,N,3-trimethyl-4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 133239000
5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 8634050
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 3257964
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 7894130
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyethanone
CID 7670135

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone (CID 19798381) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone?
The InChIKey is RJFSYTVNFPJZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-7-3-6-10-17(13)21-12-18(20)19-14(2)11-15-8-4-5-9-16(15)19/h3-10,14H,11-12H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.35, 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-methylphenoxy)ethanone is sourced from PubChem (CID 19798381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).