(R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol

C21H27NO3 — CID 44410236

IUPAC(1R)-1-[(2S)-morpholin-2-yl]-1-phenyl-2-(2-propan-2-yloxyphenyl)ethanol
SMILESCC(C)OC1=CC=CC=C1C[C@]([C@@H]2CNCCO2)(C3=CC=CC=C3)O
InChIInChI=1S/C21H27NO3/c1-16(2)25-19-11-7-6-8-17(19)14-21(23,18-9-4-3-5-10-18)20-15-22-12-13-24-20/h3-11,16,20,22-23H,12-15H2,1-2H3/t20-,21+/m0/s1
InChIKeyYKRZGFVSJMTZLF-LEWJYISDSA-N
MW341.40 g/mol
LogP2.90
Rot. Bonds6

About (R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol

(R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol (PubChem CID 44410236) has the molecular formula C21H27NO3 and a molecular weight of 341.40 g/mol. Its IUPAC name is (1R)-1-[(2S)-morpholin-2-yl]-1-phenyl-2-(2-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name(R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol
PubChem CID44410236
Molecular FormulaC21H27NO3
Molecular Weight341.40 g/mol
Exact Mass341.20
IUPAC Name(1R)-1-[(2S)-morpholin-2-yl]-1-phenyl-2-(2-propan-2-yloxyphenyl)ethanol
SMILESCC(C)OC1=CC=CC=C1C[C@]([C@@H]2CNCCO2)(C3=CC=CC=C3)O
InChIInChI=1S/C21H27NO3/c1-16(2)25-19-11-7-6-8-17(19)14-21(23,18-9-4-3-5-10-18)20-15-22-12-13-24-20/h3-11,16,20,22-23H,12-15H2,1-2H3/t20-,21+/m0/s1
InChIKeyYKRZGFVSJMTZLF-LEWJYISDSA-N
XLogP2.90
TPSA50.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity397

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol?
The IUPAC name of (R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol (CID 44410236) is (1R)-1-[(2S)-morpholin-2-yl]-1-phenyl-2-(2-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for (R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol?
The canonical SMILES for (R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol is CC(C)OC1=CC=CC=C1C[C@]([C@@H]2CNCCO2)(C3=CC=CC=C3)O.
What is the InChIKey of (R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol?
The InChIKey is YKRZGFVSJMTZLF-LEWJYISDSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16(2)25-19-11-7-6-8-17(19)14-21(23,18-9-4-3-5-10-18)20-15-22-12-13-24-20/h3-11,16,20,22-23H,12-15H2,1-2H3/t20-,21+/m0/s1.
What are the key properties of (R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol?
(R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol has a molecular weight of 341.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-(2-isopropoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol is sourced from PubChem (CID 44410236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).