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

C20H25NO3 — CID 44410096

IUPAC(1R)-2-(2-ethoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol
SMILESCCOC1=CC=CC=C1C[C@]([C@@H]2CNCCO2)(C3=CC=CC=C3)O
InChIInChI=1S/C20H25NO3/c1-2-23-18-11-7-6-8-16(18)14-20(22,17-9-4-3-5-10-17)19-15-21-12-13-24-19/h3-11,19,21-22H,2,12-15H2,1H3/t19-,20+/m0/s1
InChIKeySJKATDZDYZMMAP-VQTJNVASSA-N
MW327.40 g/mol
LogP2.40
Rot. Bonds6

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

(R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol (PubChem CID 44410096) has the molecular formula C20H25NO3 and a molecular weight of 327.40 g/mol. Its IUPAC name is (1R)-2-(2-ethoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol
PubChem CID44410096
Molecular FormulaC20H25NO3
Molecular Weight327.40 g/mol
Exact Mass327.18
IUPAC Name(1R)-2-(2-ethoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol
SMILESCCOC1=CC=CC=C1C[C@]([C@@H]2CNCCO2)(C3=CC=CC=C3)O
InChIInChI=1S/C20H25NO3/c1-2-23-18-11-7-6-8-16(18)14-20(22,17-9-4-3-5-10-17)19-15-21-12-13-24-19/h3-11,19,21-22H,2,12-15H2,1H3/t19-,20+/m0/s1
InChIKeySJKATDZDYZMMAP-VQTJNVASSA-N
XLogP2.40
TPSA50.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity372

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol?
The IUPAC name of (R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol (CID 44410096) is (1R)-2-(2-ethoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol.
What is the SMILES notation for (R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol?
The canonical SMILES for (R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol is CCOC1=CC=CC=C1C[C@]([C@@H]2CNCCO2)(C3=CC=CC=C3)O.
What is the InChIKey of (R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol?
The InChIKey is SJKATDZDYZMMAP-VQTJNVASSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-23-18-11-7-6-8-16(18)14-20(22,17-9-4-3-5-10-17)19-15-21-12-13-24-19/h3-11,19,21-22H,2,12-15H2,1H3/t19-,20+/m0/s1.
What are the key properties of (R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol?
(R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol has a molecular weight of 327.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol is sourced from PubChem (CID 44410096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).