1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone

C19H21NO2 — CID 68922925

IUPAC1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2COC2CCNC2)cc1
InChIInChI=1S/C19H21NO2/c1-14(21)15-6-8-16(9-7-15)19-5-3-2-4-17(19)13-22-18-10-11-20-12-18/h2-9,18,20H,10-13H2,1H3
InChIKeyAKLOJYYAFDBTHU-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.43
Rot. Bonds5

About 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone

1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone (PubChem CID 68922925) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone
PubChem CID68922925
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2COC2CCNC2)cc1
InChIInChI=1S/C19H21NO2/c1-14(21)15-6-8-16(9-7-15)19-5-3-2-4-17(19)13-22-18-10-11-20-12-18/h2-9,18,20H,10-13H2,1H3
InChIKeyAKLOJYYAFDBTHU-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone (CID 68922925) is 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccccc2COC2CCNC2)cc1.
What is the InChIKey of 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone?
The InChIKey is AKLOJYYAFDBTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(21)15-6-8-16(9-7-15)19-5-3-2-4-17(19)13-22-18-10-11-20-12-18/h2-9,18,20H,10-13H2,1H3.
What are the key properties of 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone?
1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone has a molecular weight of 295.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 68922925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).