4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride

C20H24ClNO — CID 57400897

IUPAC4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride
SMILESC/C(=C\CN1CCOCC1)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H23NO.ClH/c1-17(11-12-21-13-15-22-16-14-21)18-7-9-20(10-8-18)19-5-3-2-4-6-19;/h2-11H,12-16H2,1H3;1H/b17-11+;
InChIKeyZIZAZQBXSQIGMZ-SJDTYFKWSA-N
MW329.87 g/mol
LogP4.51
Rot. Bonds4

About 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride

4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride (PubChem CID 57400897) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride
PubChem CID57400897
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride
SMILESC/C(=C\CN1CCOCC1)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H23NO.ClH/c1-17(11-12-21-13-15-22-16-14-21)18-7-9-20(10-8-18)19-5-3-2-4-6-19;/h2-11H,12-16H2,1H3;1H/b17-11+;
InChIKeyZIZAZQBXSQIGMZ-SJDTYFKWSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride?
The IUPAC name of 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride (CID 57400897) is 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride is C/C(=C\CN1CCOCC1)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride?
The InChIKey is ZIZAZQBXSQIGMZ-SJDTYFKWSA-N. The full InChI is InChI=1S/C20H23NO.ClH/c1-17(11-12-21-13-15-22-16-14-21)18-7-9-20(10-8-18)19-5-3-2-4-6-19;/h2-11H,12-16H2,1H3;1H/b17-11+;.
What are the key properties of 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride?
4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-phenylphenyl)but-2-enyl]morpholine;hydrochloride is sourced from PubChem (CID 57400897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).