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

C19H18ClNO2 — CID 2286301

IUPAC(E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H18ClNO2/c20-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)19(22)21-10-12-23-13-11-21/h1-9,14H,10-13H2/b17-14+
InChIKeyFONGMJUTQTTWOT-SAPNQHFASA-N
MW327.81 g/mol
LogP3.74
Rot. Bonds3

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

(E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one (PubChem CID 2286301) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one
PubChem CID2286301
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name(E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H18ClNO2/c20-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)19(22)21-10-12-23-13-11-21/h1-9,14H,10-13H2/b17-14+
InChIKeyFONGMJUTQTTWOT-SAPNQHFASA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one (CID 2286301) is (E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one is O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCOCC1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one?
The InChIKey is FONGMJUTQTTWOT-SAPNQHFASA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)19(22)21-10-12-23-13-11-21/h1-9,14H,10-13H2/b17-14+.
What are the key properties of (E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one?
(E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one has a molecular weight of 327.81 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one is sourced from PubChem (CID 2286301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).