(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol

C26H28FNO2 — CID 1116989

IUPAC(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
SMILESO[C@](Cc1ccccc1)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C26H28FNO2/c27-24-13-11-23(12-14-24)26(29,19-21-7-3-1-4-8-21)25(22-9-5-2-6-10-22)20-28-15-17-30-18-16-28/h1-14,25,29H,15-20H2/t25-,26+/m0/s1
InChIKeyWVRPUXZKFNELFC-IZZNHLLZSA-N
MW405.51 g/mol
LogP4.37
Rot. Bonds7

About (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol

(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol (PubChem CID 1116989) has the molecular formula C26H28FNO2 and a molecular weight of 405.51 g/mol. Its IUPAC name is (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
PubChem CID1116989
Molecular FormulaC26H28FNO2
Molecular Weight405.51 g/mol
Exact Mass405.21
IUPAC Name(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
SMILESO[C@](Cc1ccccc1)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C26H28FNO2/c27-24-13-11-23(12-14-24)26(29,19-21-7-3-1-4-8-21)25(22-9-5-2-6-10-22)20-28-15-17-30-18-16-28/h1-14,25,29H,15-20H2/t25-,26+/m0/s1
InChIKeyWVRPUXZKFNELFC-IZZNHLLZSA-N
XLogP4.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol with MolForge

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Related Compounds

2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 2871832
4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
CID 45128037
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol
CID 92701916
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
CID 146052061
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2S,3S)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949496

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol?
The IUPAC name of (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol (CID 1116989) is (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol.
What is the SMILES notation for (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol?
The canonical SMILES for (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol is O[C@](Cc1ccccc1)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol?
The InChIKey is WVRPUXZKFNELFC-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H28FNO2/c27-24-13-11-23(12-14-24)26(29,19-21-7-3-1-4-8-21)25(22-9-5-2-6-10-22)20-28-15-17-30-18-16-28/h1-14,25,29H,15-20H2/t25-,26+/m0/s1.
What are the key properties of (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol?
(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol has a molecular weight of 405.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol is sourced from PubChem (CID 1116989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).