2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone

C14H19NO3 — CID 55132312

IUPAC2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(O)C2)c1C
InChIInChI=1S/C14H19NO3/c1-10-4-3-5-13(11(10)2)18-9-14(17)15-7-6-12(16)8-15/h3-5,12,16H,6-9H2,1-2H3
InChIKeyCFBNLJSYOMGSKA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.28
Rot. Bonds3

About 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone

2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 55132312) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID55132312
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(O)C2)c1C
InChIInChI=1S/C14H19NO3/c1-10-4-3-5-13(11(10)2)18-9-14(17)15-7-6-12(16)8-15/h3-5,12,16H,6-9H2,1-2H3
InChIKeyCFBNLJSYOMGSKA-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone (CID 55132312) is 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone is Cc1cccc(OCC(=O)N2CCC(O)C2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is CFBNLJSYOMGSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-4-3-5-13(11(10)2)18-9-14(17)15-7-6-12(16)8-15/h3-5,12,16H,6-9H2,1-2H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone?
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 55132312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).