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

C15H22ClNO2 — CID 57390385

IUPAC4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride
SMILESCOc1ccc(/C(C)=C/CN2CCOCC2)cc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-13(7-8-16-9-11-18-12-10-16)14-3-5-15(17-2)6-4-14;/h3-7H,8-12H2,1-2H3;1H/b13-7+;
InChIKeyWQOQSAHKDRHBFO-FTPOTTDRSA-N
MW283.80 g/mol
LogP2.85
Rot. Bonds4

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

4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride (PubChem CID 57390385) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride
PubChem CID57390385
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride
SMILESCOc1ccc(/C(C)=C/CN2CCOCC2)cc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-13(7-8-16-9-11-18-12-10-16)14-3-5-15(17-2)6-4-14;/h3-7H,8-12H2,1-2H3;1H/b13-7+;
InChIKeyWQOQSAHKDRHBFO-FTPOTTDRSA-N
XLogP2.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride?
The IUPAC name of 4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride (CID 57390385) is 4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride is COc1ccc(/C(C)=C/CN2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride?
The InChIKey is WQOQSAHKDRHBFO-FTPOTTDRSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-13(7-8-16-9-11-18-12-10-16)14-3-5-15(17-2)6-4-14;/h3-7H,8-12H2,1-2H3;1H/b13-7+;.
What are the key properties of 4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride?
4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride is sourced from PubChem (CID 57390385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).