2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride

C24H32Cl2FNO2 — CID 45489352

IUPAC2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride
SMILESCCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H31ClFNO2.ClH/c1-2-3-4-13-24(28,20-7-11-22(26)12-8-20)23(18-27-14-16-29-17-15-27)19-5-9-21(25)10-6-19;/h5-12,23,28H,2-4,13-18H2,1H3;1H
InChIKeyAVWUVHAZCJEJLJ-UHFFFAOYSA-N
MW456.43 g/mol
LogP5.78
Rot. Bonds9

About 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride

2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride (PubChem CID 45489352) has the molecular formula C24H32Cl2FNO2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride
PubChem CID45489352
Molecular FormulaC24H32Cl2FNO2
Molecular Weight456.43 g/mol
Exact Mass455.18
IUPAC Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride
SMILESCCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H31ClFNO2.ClH/c1-2-3-4-13-24(28,20-7-11-22(26)12-8-20)23(18-27-14-16-29-17-15-27)19-5-9-21(25)10-6-19;/h5-12,23,28H,2-4,13-18H2,1H3;1H
InChIKeyAVWUVHAZCJEJLJ-UHFFFAOYSA-N
XLogP5.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.43
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride (CID 45489352) is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride is CCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride?
The InChIKey is AVWUVHAZCJEJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClFNO2.ClH/c1-2-3-4-13-24(28,20-7-11-22(26)12-8-20)23(18-27-14-16-29-17-15-27)19-5-9-21(25)10-6-19;/h5-12,23,28H,2-4,13-18H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride?
2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride has a molecular weight of 456.43 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride is sourced from PubChem (CID 45489352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).