2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone

C15H21NO3 — CID 116560715

IUPAC2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CC(OC)CN1
InChIInChI=1S/C15H21NO3/c1-10-4-5-15(19-3)11(6-10)7-14(17)13-8-12(18-2)9-16-13/h4-6,12-13,16H,7-9H2,1-3H3
InChIKeyJVRXDLDBOXCGMV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds5

About 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone

2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone (PubChem CID 116560715) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone
PubChem CID116560715
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CC(OC)CN1
InChIInChI=1S/C15H21NO3/c1-10-4-5-15(19-3)11(6-10)7-14(17)13-8-12(18-2)9-16-13/h4-6,12-13,16H,7-9H2,1-3H3
InChIKeyJVRXDLDBOXCGMV-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116560533
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114965714
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
2-(2-methoxy-5-methylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanone
CID 115385766
1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116560716
1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116594701
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79968379
N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 103832911
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 79403824

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone (CID 116560715) is 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone is COc1ccc(C)cc1CC(=O)C1CC(OC)CN1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone?
The InChIKey is JVRXDLDBOXCGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-4-5-15(19-3)11(6-10)7-14(17)13-8-12(18-2)9-16-13/h4-6,12-13,16H,7-9H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone?
2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116560715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).