3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride

C25H36ClNO2 — CID 24761448

IUPAC3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride
SMILESCCc1ccc(C(O)(CC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C25H35NO2.ClH/c1-4-21-10-12-23(13-11-21)25(27,18-20(2)3)24(22-8-6-5-7-9-22)19-26-14-16-28-17-15-26;/h5-13,20,24,27H,4,14-19H2,1-3H3;1H
InChIKeyOPCNCXPHYZLURH-UHFFFAOYSA-N
MW418.02 g/mol
LogP5.02
Rot. Bonds8

About 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride

3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride (PubChem CID 24761448) has the molecular formula C25H36ClNO2 and a molecular weight of 418.02 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride
PubChem CID24761448
Molecular FormulaC25H36ClNO2
Molecular Weight418.02 g/mol
Exact Mass417.24
IUPAC Name3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride
SMILESCCc1ccc(C(O)(CC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C25H35NO2.ClH/c1-4-21-10-12-23(13-11-21)25(27,18-20(2)3)24(22-8-6-5-7-9-22)19-26-14-16-28-17-15-26;/h5-13,20,24,27H,4,14-19H2,1-3H3;1H
InChIKeyOPCNCXPHYZLURH-UHFFFAOYSA-N
XLogP5.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.02
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride (CID 24761448) is 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride is CCc1ccc(C(O)(CC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride?
The InChIKey is OPCNCXPHYZLURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2.ClH/c1-4-21-10-12-23(13-11-21)25(27,18-20(2)3)24(22-8-6-5-7-9-22)19-26-14-16-28-17-15-26;/h5-13,20,24,27H,4,14-19H2,1-3H3;1H.
What are the key properties of 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride?
3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride has a molecular weight of 418.02 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride is sourced from PubChem (CID 24761448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).