(2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one

C21H25NO3 — CID 122140848

IUPAC(2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-16(17-8-4-2-5-9-17)21(24)22-12-13-25-15-19(22)14-20(23)18-10-6-3-7-11-18/h2-11,16,19-20,23H,12-15H2,1H3/t16-,19?,20?/m1/s1
InChIKeyGCQYFHVOECUCSN-PBPGXSGUSA-N
MW339.44 g/mol
LogP3.14
Rot. Bonds5

About (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one

(2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one (PubChem CID 122140848) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one
PubChem CID122140848
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-16(17-8-4-2-5-9-17)21(24)22-12-13-25-15-19(22)14-20(23)18-10-6-3-7-11-18/h2-11,16,19-20,23H,12-15H2,1H3/t16-,19?,20?/m1/s1
InChIKeyGCQYFHVOECUCSN-PBPGXSGUSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one (CID 122140848) is (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one is C[C@@H](C(=O)N1CCOCC1CC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one?
The InChIKey is GCQYFHVOECUCSN-PBPGXSGUSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16(17-8-4-2-5-9-17)21(24)22-12-13-25-15-19(22)14-20(23)18-10-6-3-7-11-18/h2-11,16,19-20,23H,12-15H2,1H3/t16-,19?,20?/m1/s1.
What are the key properties of (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one?
(2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 122140848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).