1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one

C18H19NO2 — CID 94702209

IUPAC1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c20-18-7-4-12-19(18)13-14-21-17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeyOLYSXIYVWKWDNL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds5

About 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one

1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one (PubChem CID 94702209) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
PubChem CID94702209
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c20-18-7-4-12-19(18)13-14-21-17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeyOLYSXIYVWKWDNL-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406175
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403164
1-(3-anilinooxypropyl)pyrrolidin-2-one
CID 87356449

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one (CID 94702209) is 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is OLYSXIYVWKWDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18-7-4-12-19(18)13-14-21-17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2.
What are the key properties of 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one?
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 94702209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).