(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one

C20H21NO3 — CID 25156624

IUPAC(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C20H21NO3/c22-19(8-6-16-4-2-1-3-5-16)17-7-9-20(23)18(14-17)15-21-10-12-24-13-11-21/h1-9,14,23H,10-13,15H2/b8-6+
InChIKeyIWLWHHXHUBDIBI-SOFGYWHQSA-N
MW323.39 g/mol
LogP3.12
Rot. Bonds5

About (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one

(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 25156624) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one
PubChem CID25156624
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C20H21NO3/c22-19(8-6-16-4-2-1-3-5-16)17-7-9-20(23)18(14-17)15-21-10-12-24-13-11-21/h1-9,14,23H,10-13,15H2/b8-6+
InChIKeyIWLWHHXHUBDIBI-SOFGYWHQSA-N
XLogP3.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one (CID 25156624) is (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc(O)c(CN2CCOCC2)c1.
What is the InChIKey of (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is IWLWHHXHUBDIBI-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19(8-6-16-4-2-1-3-5-16)17-7-9-20(23)18(14-17)15-21-10-12-24-13-11-21/h1-9,14,23H,10-13,15H2/b8-6+.
What are the key properties of (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one?
(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 323.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 25156624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).