3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one

C19H21NO2 — CID 155512842

IUPAC3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(Oc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C19H21NO2/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)22-17-6-2-1-3-7-17/h1-3,6-9,11-12H,4-5,10,13-15H2
InChIKeySQRHWWOQHKKHIF-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.03
Rot. Bonds5

About 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one

3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 155512842) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID155512842
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(Oc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C19H21NO2/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)22-17-6-2-1-3-7-17/h1-3,6-9,11-12H,4-5,10,13-15H2
InChIKeySQRHWWOQHKKHIF-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 155512842) is 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1ccc(Oc2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SQRHWWOQHKKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)22-17-6-2-1-3-7-17/h1-3,6-9,11-12H,4-5,10,13-15H2.
What are the key properties of 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one?
3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 295.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 155512842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).