2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol

C19H21NO2 — CID 11471966

IUPAC2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol
SMILESOc1ccccc1C(/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H21NO2/c21-19-9-5-4-8-17(19)18(20-12-14-22-15-13-20)11-10-16-6-2-1-3-7-16/h1-11,18,21H,12-15H2/b11-10+
InChIKeyXPXKOOYCRILJKX-ZHACJKMWSA-N
MW295.38 g/mol
LogP3.48
Rot. Bonds4

About 2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol

2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol (PubChem CID 11471966) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol
PubChem CID11471966
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol
SMILESOc1ccccc1C(/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H21NO2/c21-19-9-5-4-8-17(19)18(20-12-14-22-15-13-20)11-10-16-6-2-1-3-7-16/h1-11,18,21H,12-15H2/b11-10+
InChIKeyXPXKOOYCRILJKX-ZHACJKMWSA-N
XLogP3.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol?
The IUPAC name of 2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol (CID 11471966) is 2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol is Oc1ccccc1C(/C=C/c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol?
The InChIKey is XPXKOOYCRILJKX-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19-9-5-4-8-17(19)18(20-12-14-22-15-13-20)11-10-16-6-2-1-3-7-16/h1-11,18,21H,12-15H2/b11-10+.
What are the key properties of 2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol?
2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol has a molecular weight of 295.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-morpholin-4-yl-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 11471966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).