3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride

C26H38ClNO2 — CID 45128062

IUPAC3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
SMILESCCc1ccc(C(O)(CCC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C26H37NO2.ClH/c1-4-22-10-12-24(13-11-22)26(28,15-14-21(2)3)25(23-8-6-5-7-9-23)20-27-16-18-29-19-17-27;/h5-13,21,25,28H,4,14-20H2,1-3H3;1H
InChIKeyLVMYBDFPGINIKY-UHFFFAOYSA-N
MW432.05 g/mol
LogP5.41
Rot. Bonds9

About 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride

3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride (PubChem CID 45128062) has the molecular formula C26H38ClNO2 and a molecular weight of 432.05 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
PubChem CID45128062
Molecular FormulaC26H38ClNO2
Molecular Weight432.05 g/mol
Exact Mass431.26
IUPAC Name3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
SMILESCCc1ccc(C(O)(CCC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C26H37NO2.ClH/c1-4-22-10-12-24(13-11-22)26(28,15-14-21(2)3)25(23-8-6-5-7-9-23)20-27-16-18-29-19-17-27;/h5-13,21,25,28H,4,14-20H2,1-3H3;1H
InChIKeyLVMYBDFPGINIKY-UHFFFAOYSA-N
XLogP5.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.05
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride (CID 45128062) is 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride is CCc1ccc(C(O)(CCC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
The InChIKey is LVMYBDFPGINIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2.ClH/c1-4-22-10-12-24(13-11-22)26(28,15-14-21(2)3)25(23-8-6-5-7-9-23)20-27-16-18-29-19-17-27;/h5-13,21,25,28H,4,14-20H2,1-3H3;1H.
What are the key properties of 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride has a molecular weight of 432.05 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride is sourced from PubChem (CID 45128062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).