3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride

C25H35ClFNO2 — CID 45489331

IUPAC3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
SMILESCCCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C25H34FNO2.ClH/c1-2-3-4-8-15-25(28,22-11-13-23(26)14-12-22)24(21-9-6-5-7-10-21)20-27-16-18-29-19-17-27;/h5-7,9-14,24,28H,2-4,8,15-20H2,1H3;1H
InChIKeyYRWIYJODTMGUFQ-UHFFFAOYSA-N
MW436.01 g/mol
LogP5.52
Rot. Bonds10

About 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride

3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride (PubChem CID 45489331) has the molecular formula C25H35ClFNO2 and a molecular weight of 436.01 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
PubChem CID45489331
Molecular FormulaC25H35ClFNO2
Molecular Weight436.01 g/mol
Exact Mass435.23
IUPAC Name3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
SMILESCCCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C25H34FNO2.ClH/c1-2-3-4-8-15-25(28,22-11-13-23(26)14-12-22)24(21-9-6-5-7-10-21)20-27-16-18-29-19-17-27;/h5-7,9-14,24,28H,2-4,8,15-20H2,1H3;1H
InChIKeyYRWIYJODTMGUFQ-UHFFFAOYSA-N
XLogP5.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.01
LogP ≤ 55.52
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 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride (CID 45489331) is 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride is CCCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride?
The InChIKey is YRWIYJODTMGUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO2.ClH/c1-2-3-4-8-15-25(28,22-11-13-23(26)14-12-22)24(21-9-6-5-7-10-21)20-27-16-18-29-19-17-27;/h5-7,9-14,24,28H,2-4,8,15-20H2,1H3;1H.
What are the key properties of 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride?
3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride has a molecular weight of 436.01 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride is sourced from PubChem (CID 45489331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).