(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one

C22H25NO4 — CID 44578631

IUPAC(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one
SMILESCCOc1cc(O)c(C(=O)/C=C/c2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C22H25NO4/c1-2-27-22-15-21(25)19(14-18(22)16-23-10-12-26-13-11-23)20(24)9-8-17-6-4-3-5-7-17/h3-9,14-15,25H,2,10-13,16H2,1H3/b9-8+
InChIKeyVVZJVGYRTFZQAU-CMDGGOBGSA-N
MW367.45 g/mol
LogP3.52
Rot. Bonds7

About (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one

(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 44578631) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one
PubChem CID44578631
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one
SMILESCCOc1cc(O)c(C(=O)/C=C/c2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C22H25NO4/c1-2-27-22-15-21(25)19(14-18(22)16-23-10-12-26-13-11-23)20(24)9-8-17-6-4-3-5-7-17/h3-9,14-15,25H,2,10-13,16H2,1H3/b9-8+
InChIKeyVVZJVGYRTFZQAU-CMDGGOBGSA-N
XLogP3.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one (CID 44578631) is (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one is CCOc1cc(O)c(C(=O)/C=C/c2ccccc2)cc1CN1CCOCC1.
What is the InChIKey of (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is VVZJVGYRTFZQAU-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-27-22-15-21(25)19(14-18(22)16-23-10-12-26-13-11-23)20(24)9-8-17-6-4-3-5-7-17/h3-9,14-15,25H,2,10-13,16H2,1H3/b9-8+.
What are the key properties of (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one?
(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 367.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 44578631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).