2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone

C19H21NO2 — CID 2910597

IUPAC2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(c3ccccc3)C2)c1
InChIInChI=1S/C19H21NO2/c1-15-6-5-9-18(12-15)22-14-19(21)20-11-10-17(13-20)16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyUHRXJDWLJDDVCZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.39
Rot. Bonds4

About 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone

2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone (PubChem CID 2910597) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
PubChem CID2910597
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(c3ccccc3)C2)c1
InChIInChI=1S/C19H21NO2/c1-15-6-5-9-18(12-15)22-14-19(21)20-11-10-17(13-20)16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyUHRXJDWLJDDVCZ-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone (CID 2910597) is 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone is Cc1cccc(OCC(=O)N2CCC(c3ccccc3)C2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is UHRXJDWLJDDVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-6-5-9-18(12-15)22-14-19(21)20-11-10-17(13-20)16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone?
2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 295.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 2910597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).