1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one

C17H16FNO3 — CID 22293114

IUPAC1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO3/c18-13-3-7-16(8-4-13)22-15-5-1-12(2-6-15)10-19-11-14(20)9-17(19)21/h1-8,14,20H,9-11H2
InChIKeyDLPHDLFQSNFVHX-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.71
Rot. Bonds4

About 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one

1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one (PubChem CID 22293114) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one
PubChem CID22293114
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO3/c18-13-3-7-16(8-4-13)22-15-5-1-12(2-6-15)10-19-11-14(20)9-17(19)21/h1-8,14,20H,9-11H2
InChIKeyDLPHDLFQSNFVHX-UHFFFAOYSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one (CID 22293114) is 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1Cc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is DLPHDLFQSNFVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-13-3-7-16(8-4-13)22-15-5-1-12(2-6-15)10-19-11-14(20)9-17(19)21/h1-8,14,20H,9-11H2.
What are the key properties of 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one?
1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 301.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 22293114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).