(2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol

C18H20FNO2 — CID 11833536

IUPAC(2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol
SMILESC[C@H](c1ccccc1)N1CCO[C@H](O)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-13(14-5-3-2-4-6-14)20-11-12-22-18(21)17(20)15-7-9-16(19)10-8-15/h2-10,13,17-18,21H,11-12H2,1H3/t13-,17-,18+/m1/s1
InChIKeyGDADHSAHTCURBH-XWIAVFTESA-N
MW301.36 g/mol
LogP3.28
Rot. Bonds3

About (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol

(2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol (PubChem CID 11833536) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol
PubChem CID11833536
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol
SMILESC[C@H](c1ccccc1)N1CCO[C@H](O)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-13(14-5-3-2-4-6-14)20-11-12-22-18(21)17(20)15-7-9-16(19)10-8-15/h2-10,13,17-18,21H,11-12H2,1H3/t13-,17-,18+/m1/s1
InChIKeyGDADHSAHTCURBH-XWIAVFTESA-N
XLogP3.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-2-morpholino-2-phenylethanol hydrochloride
CID 6603251
2-Morpholin-4-yl-2-phenylethanol
CID 10899797
2-Methyl-1-morpholino-1-phenylpropan-2-ol
CID 46885514
2-(Morpholin-4-yl)-1,2-diphenylethan-1-ol
CID 281045
1-Piperazineethanol, beta-(p-fluorophenyl)-4-methyl-
CID 202127
2-(4-Methylphenyl)-2-(morpholin-4-yl)ethan-1-ol
CID 202166
(1S,2S)-2-morpholin-4-yl-1,2-diphenylethanol
CID 71460292
(2S,3S)-3-(4-Fluorophenyl)-4-[(2S)-2-hydroxy-2-[3,5-bis(trifluoromethyl)phenyl]ethyl]morpholine-2-ol
CID 11396833
Aprepitant Impurity 81
CID 123159573
(1S,2R)-1-(dibenzylamino)-3-fluoro-3-methyl-1-phenylbutan-2-ol
CID 53343017
(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol
CID 71501124
(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine
CID 132530885

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol?
The IUPAC name of (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol (CID 11833536) is (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol.
What is the SMILES notation for (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol?
The canonical SMILES for (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol is C[C@H](c1ccccc1)N1CCO[C@H](O)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol?
The InChIKey is GDADHSAHTCURBH-XWIAVFTESA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13(14-5-3-2-4-6-14)20-11-12-22-18(21)17(20)15-7-9-16(19)10-8-15/h2-10,13,17-18,21H,11-12H2,1H3/t13-,17-,18+/m1/s1.
What are the key properties of (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol?
(2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol has a molecular weight of 301.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol is sourced from PubChem (CID 11833536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).