2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one

C21H25NO2 — CID 43909683

IUPAC2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCC(Oc1cc(C)ccc1C)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H25NO2/c1-5-19(24-20-12-14(2)10-11-15(20)3)21(23)22-16(4)13-17-8-6-7-9-18(17)22/h6-12,16,19H,5,13H2,1-4H3
InChIKeyCTWJWFAAGOLAEC-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.44
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one

2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 43909683) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID43909683
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCC(Oc1cc(C)ccc1C)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H25NO2/c1-5-19(24-20-12-14(2)10-11-15(20)3)21(23)22-16(4)13-17-8-6-7-9-18(17)22/h6-12,16,19H,5,13H2,1-4H3
InChIKeyCTWJWFAAGOLAEC-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methoxyphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 28635809
(2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 94013099
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112973581
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 46772889
4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide
CID 75865755
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 7373194
(2R)-2-(2,5-dimethylphenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 92676689
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108510629
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide
CID 92682966
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one
CID 43905979

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one (CID 43909683) is 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one is CCC(Oc1cc(C)ccc1C)C(=O)N1c2ccccc2CC1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is CTWJWFAAGOLAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-5-19(24-20-12-14(2)10-11-15(20)3)21(23)22-16(4)13-17-8-6-7-9-18(17)22/h6-12,16,19H,5,13H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 323.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 43909683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).