3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride

C23H32ClNO2 — CID 24748022

IUPAC3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride
SMILESCCc1ccc(C(O)(CC)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-3-19-10-12-21(13-11-19)23(25,4-2)22(20-8-6-5-7-9-20)18-24-14-16-26-17-15-24;/h5-13,22,25H,3-4,14-18H2,1-2H3;1H
InChIKeyZPVBPCHQHVWUAF-UHFFFAOYSA-N
MW389.97 g/mol
LogP4.38
Rot. Bonds7

About 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride

3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride (PubChem CID 24748022) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride
PubChem CID24748022
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride
SMILESCCc1ccc(C(O)(CC)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-3-19-10-12-21(13-11-19)23(25,4-2)22(20-8-6-5-7-9-20)18-24-14-16-26-17-15-24;/h5-13,22,25H,3-4,14-18H2,1-2H3;1H
InChIKeyZPVBPCHQHVWUAF-UHFFFAOYSA-N
XLogP4.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride (CID 24748022) is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride is CCc1ccc(C(O)(CC)C(CN2CCOCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride?
The InChIKey is ZPVBPCHQHVWUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1-3-19-10-12-21(13-11-19)23(25,4-2)22(20-8-6-5-7-9-20)18-24-14-16-26-17-15-24;/h5-13,22,25H,3-4,14-18H2,1-2H3;1H.
What are the key properties of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride?
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol;hydrochloride is sourced from PubChem (CID 24748022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).