2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride

C22H30ClNO2 — CID 24747970

IUPAC2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride
SMILESCCc1ccc(C(C)(O)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-3-18-9-11-20(12-10-18)22(2,24)21(19-7-5-4-6-8-19)17-23-13-15-25-16-14-23;/h4-12,21,24H,3,13-17H2,1-2H3;1H
InChIKeyHQMYGAITGZDEOP-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.99
Rot. Bonds6

About 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride

2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride (PubChem CID 24747970) has the molecular formula C22H30ClNO2 and a molecular weight of 375.94 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride
PubChem CID24747970
Molecular FormulaC22H30ClNO2
Molecular Weight375.94 g/mol
Exact Mass375.20
IUPAC Name2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride
SMILESCCc1ccc(C(C)(O)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-3-18-9-11-20(12-10-18)22(2,24)21(19-7-5-4-6-8-19)17-23-13-15-25-16-14-23;/h4-12,21,24H,3,13-17H2,1-2H3;1H
InChIKeyHQMYGAITGZDEOP-UHFFFAOYSA-N
XLogP3.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride?
The IUPAC name of 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride (CID 24747970) is 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride.
What is the SMILES notation for 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride?
The canonical SMILES for 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride is CCc1ccc(C(C)(O)C(CN2CCOCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride?
The InChIKey is HQMYGAITGZDEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.ClH/c1-3-18-9-11-20(12-10-18)22(2,24)21(19-7-5-4-6-8-19)17-23-13-15-25-16-14-23;/h4-12,21,24H,3,13-17H2,1-2H3;1H.
What are the key properties of 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride?
2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride has a molecular weight of 375.94 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol;hydrochloride is sourced from PubChem (CID 24747970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).