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

C24H34ClNO2 — CID 24748006

IUPAC3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride
SMILESCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C24H33NO2.ClH/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25;/h5-13,23,26H,3-4,14-19H2,1-2H3;1H
InChIKeyBRDNEOLQNSZVRP-UHFFFAOYSA-N
MW403.99 g/mol
LogP4.77
Rot. Bonds8

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

3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride (PubChem CID 24748006) has the molecular formula C24H34ClNO2 and a molecular weight of 403.99 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride
PubChem CID24748006
Molecular FormulaC24H34ClNO2
Molecular Weight403.99 g/mol
Exact Mass403.23
IUPAC Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride
SMILESCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C24H33NO2.ClH/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25;/h5-13,23,26H,3-4,14-19H2,1-2H3;1H
InChIKeyBRDNEOLQNSZVRP-UHFFFAOYSA-N
XLogP4.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.99
LogP ≤ 54.77
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-phenylhexan-3-ol;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride (CID 24748006) is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride is CCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride?
The InChIKey is BRDNEOLQNSZVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2.ClH/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25;/h5-13,23,26H,3-4,14-19H2,1-2H3;1H.
What are the key properties of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride?
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol;hydrochloride has a molecular weight of 403.99 g/mol, XLogP of 4.77, 8 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-phenylhexan-3-ol;hydrochloride is sourced from PubChem (CID 24748006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).