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

C18H19NO3 — CID 94711360

IUPAC1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c20-18-7-4-12-19(18)13-14-21-15-8-10-17(11-9-15)22-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeySMSPTNWNRWDXBD-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.48
Rot. Bonds6

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

1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one (PubChem CID 94711360) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
PubChem CID94711360
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c20-18-7-4-12-19(18)13-14-21-15-8-10-17(11-9-15)22-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeySMSPTNWNRWDXBD-UHFFFAOYSA-N
XLogP3.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
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1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
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1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one (CID 94711360) is 1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is SMSPTNWNRWDXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18-7-4-12-19(18)13-14-21-15-8-10-17(11-9-15)22-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2.
What are the key properties of 1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one?
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 94711360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).