1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone

C21H25NO2 — CID 155953056

IUPAC1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
SMILESCc1ccc2c(c1)CCN2C(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C21H25NO2/c1-14(2)19-7-6-18(12-16(19)4)24-13-21(23)22-10-9-17-11-15(3)5-8-20(17)22/h5-8,11-12,14H,9-10,13H2,1-4H3
InChIKeySTDHPDQNJBXPHB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.39
Rot. Bonds4

About 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone

1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone (PubChem CID 155953056) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
PubChem CID155953056
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
SMILESCc1ccc2c(c1)CCN2C(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C21H25NO2/c1-14(2)19-7-6-18(12-16(19)4)24-13-21(23)22-10-9-17-11-15(3)5-8-20(17)22/h5-8,11-12,14H,9-10,13H2,1-4H3
InChIKeySTDHPDQNJBXPHB-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone with MolForge

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Related Compounds

2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
2-(3-methyl-4-nitrophenoxy)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 27190512
2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119403032
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
2-(2,5-dimethylphenoxy)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 18102373
methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75485040
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone
CID 41459030
(2-bromo-4-methylphenyl) 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 19179408
1-[(1R,5R)-5-methyl-1-oxo-1,4-thiazepan-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 124853834
2-(2-chlorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24655671
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone (CID 155953056) is 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone is Cc1ccc2c(c1)CCN2C(=O)COc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone?
The InChIKey is STDHPDQNJBXPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14(2)19-7-6-18(12-16(19)4)24-13-21(23)22-10-9-17-11-15(3)5-8-20(17)22/h5-8,11-12,14H,9-10,13H2,1-4H3.
What are the key properties of 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone?
1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone has a molecular weight of 323.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 155953056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).