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

C25H36ClNO2 — CID 24747963

IUPAC3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
SMILESCCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C25H35NO2.ClH/c1-3-5-15-25(27,23-13-11-21(4-2)12-14-23)24(22-9-7-6-8-10-22)20-26-16-18-28-19-17-26;/h6-14,24,27H,3-5,15-20H2,1-2H3;1H
InChIKeyJEHVJLQLGZLOQY-UHFFFAOYSA-N
MW418.02 g/mol
LogP5.16
Rot. Bonds9

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

3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride (PubChem CID 24747963) has the molecular formula C25H36ClNO2 and a molecular weight of 418.02 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
PubChem CID24747963
Molecular FormulaC25H36ClNO2
Molecular Weight418.02 g/mol
Exact Mass417.24
IUPAC Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
SMILESCCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C25H35NO2.ClH/c1-3-5-15-25(27,23-13-11-21(4-2)12-14-23)24(22-9-7-6-8-10-22)20-26-16-18-28-19-17-26;/h6-14,24,27H,3-5,15-20H2,1-2H3;1H
InChIKeyJEHVJLQLGZLOQY-UHFFFAOYSA-N
XLogP5.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.02
LogP ≤ 55.16
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-phenylheptan-3-ol;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride (CID 24747963) is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride is CCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
The InChIKey is JEHVJLQLGZLOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2.ClH/c1-3-5-15-25(27,23-13-11-21(4-2)12-14-23)24(22-9-7-6-8-10-22)20-26-16-18-28-19-17-26;/h6-14,24,27H,3-5,15-20H2,1-2H3;1H.
What are the key properties of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride has a molecular weight of 418.02 g/mol, XLogP of 5.16, 9 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-phenylheptan-3-ol;hydrochloride is sourced from PubChem (CID 24747963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).