(E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one

C19H18ClNO2 — CID 6372943

IUPAC(E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C(=C\c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO2/c20-17-8-6-16(7-9-17)19(22)18(21-10-12-23-13-11-21)14-15-4-2-1-3-5-15/h1-9,14H,10-13H2/b18-14+
InChIKeyRHMHNOSAUHLTPE-NBVRZTHBSA-N
MW327.81 g/mol
LogP3.90
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one

(E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one (PubChem CID 6372943) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one
PubChem CID6372943
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name(E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C(=C\c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO2/c20-17-8-6-16(7-9-17)19(22)18(21-10-12-23-13-11-21)14-15-4-2-1-3-5-15/h1-9,14H,10-13H2/b18-14+
InChIKeyRHMHNOSAUHLTPE-NBVRZTHBSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one (CID 6372943) is (E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one is O=C(/C(=C\c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one?
The InChIKey is RHMHNOSAUHLTPE-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-17-8-6-16(7-9-17)19(22)18(21-10-12-23-13-11-21)14-15-4-2-1-3-5-15/h1-9,14H,10-13H2/b18-14+.
What are the key properties of (E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one?
(E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one has a molecular weight of 327.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 6372943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).