1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one

C18H21NO2 — CID 106260501

IUPAC1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCOc1ccccc1CCn1c(C)cc2c1CCCC2=O
InChIInChI=1S/C18H21NO2/c1-13-12-15-16(7-5-8-17(15)20)19(13)11-10-14-6-3-4-9-18(14)21-2/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3
InChIKeyPWYZWSZTUNWWMA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.57
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one

1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one (PubChem CID 106260501) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
PubChem CID106260501
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCOc1ccccc1CCn1c(C)cc2c1CCCC2=O
InChIInChI=1S/C18H21NO2/c1-13-12-15-16(7-5-8-17(15)20)19(13)11-10-14-6-3-4-9-18(14)21-2/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3
InChIKeyPWYZWSZTUNWWMA-UHFFFAOYSA-N
XLogP3.57
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole
CID 113219800
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
2-methyl-1-(2-prop-2-enylsulfanylethyl)-6,7-dihydro-5H-indol-4-one
CID 106432313
1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 106260471
1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
CID 63466940
6-hydroxy-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione
CID 106260066
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 42436493
2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one
CID 80527738
4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
CID 82118888
2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82132117
3-[2-(2-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 17271636
1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one
CID 45215944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one (CID 106260501) is 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one is COc1ccccc1CCn1c(C)cc2c1CCCC2=O.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is PWYZWSZTUNWWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-12-15-16(7-5-8-17(15)20)19(13)11-10-14-6-3-4-9-18(14)21-2/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 283.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 106260501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).