(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol

C22H26FNO2 — CID 92701916

IUPAC(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol
SMILESC=CC[C@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H26FNO2/c1-2-12-22(25,19-8-10-20(23)11-9-19)21(18-6-4-3-5-7-18)17-24-13-15-26-16-14-24/h2-11,21,25H,1,12-17H2/t21-,22-/m0/s1
InChIKeyPRPMNHQFKVNPFJ-VXKWHMMOSA-N
MW355.45 g/mol
LogP3.71
Rot. Bonds7

About (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol

(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol (PubChem CID 92701916) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol
PubChem CID92701916
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol
SMILESC=CC[C@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H26FNO2/c1-2-12-22(25,19-8-10-20(23)11-9-19)21(18-6-4-3-5-7-18)17-24-13-15-26-16-14-24/h2-11,21,25H,1,12-17H2/t21-,22-/m0/s1
InChIKeyPRPMNHQFKVNPFJ-VXKWHMMOSA-N
XLogP3.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 1116989
2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 2871832
4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701923
4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701926
(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol
CID 92720780
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
CID 45128037
1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
CID 146052061
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol?
The IUPAC name of (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol (CID 92701916) is (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol.
What is the SMILES notation for (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol?
The canonical SMILES for (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol is C=CC[C@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol?
The InChIKey is PRPMNHQFKVNPFJ-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-2-12-22(25,19-8-10-20(23)11-9-19)21(18-6-4-3-5-7-18)17-24-13-15-26-16-14-24/h2-11,21,25H,1,12-17H2/t21-,22-/m0/s1.
What are the key properties of (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol?
(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol has a molecular weight of 355.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol is sourced from PubChem (CID 92701916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).