2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone

C18H19NO2 — CID 1090725

IUPAC2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C18H19NO2/c20-18(19-12-4-5-13-19)14-21-17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2
InChIKeyJWCXGNHQCOYDPF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone

2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 1090725) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID1090725
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C18H19NO2/c20-18(19-12-4-5-13-19)14-21-17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2
InChIKeyJWCXGNHQCOYDPF-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone (CID 1090725) is 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(-c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is JWCXGNHQCOYDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(19-12-4-5-13-19)14-21-17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2.
What are the key properties of 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone?
2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 281.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 1090725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).