2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol

C18H20FNO3 — CID 46041250

IUPAC2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol
SMILESOc1ccccc1CN1CCOC(COc2ccc(F)cc2)C1
InChIInChI=1S/C18H20FNO3/c19-15-5-7-16(8-6-15)23-13-17-12-20(9-10-22-17)11-14-3-1-2-4-18(14)21/h1-8,17,21H,9-13H2
InChIKeyDGYGVJSVAQNQBD-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.81
Rot. Bonds5

About 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol

2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol (PubChem CID 46041250) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol
PubChem CID46041250
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol
SMILESOc1ccccc1CN1CCOC(COc2ccc(F)cc2)C1
InChIInChI=1S/C18H20FNO3/c19-15-5-7-16(8-6-15)23-13-17-12-20(9-10-22-17)11-14-3-1-2-4-18(14)21/h1-8,17,21H,9-13H2
InChIKeyDGYGVJSVAQNQBD-UHFFFAOYSA-N
XLogP2.81
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol?
The IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol (CID 46041250) is 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol?
The canonical SMILES for 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol is Oc1ccccc1CN1CCOC(COc2ccc(F)cc2)C1.
What is the InChIKey of 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol?
The InChIKey is DGYGVJSVAQNQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c19-15-5-7-16(8-6-15)23-13-17-12-20(9-10-22-17)11-14-3-1-2-4-18(14)21/h1-8,17,21H,9-13H2.
What are the key properties of 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol?
2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol has a molecular weight of 317.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methyl]phenol is sourced from PubChem (CID 46041250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).