(1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol

C20H25NO4 — CID 159038319

IUPAC(1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol
SMILESCOc1ccc(OC)c(C[C@@](O)(c2ccccc2)[C@H]2CNCCO2)c1
InChIInChI=1S/C20H25NO4/c1-23-17-8-9-18(24-2)15(12-17)13-20(22,16-6-4-3-5-7-16)19-14-21-10-11-25-19/h3-9,12,19,21-22H,10-11,13-14H2,1-2H3/t19-,20-/m1/s1
InChIKeyMNXJARQXVSJOQR-WOJBJXKFSA-N
MW343.42 g/mol
LogP2.12
Rot. Bonds6

About (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol

(1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol (PubChem CID 159038319) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol
PubChem CID159038319
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol
SMILESCOc1ccc(OC)c(C[C@@](O)(c2ccccc2)[C@H]2CNCCO2)c1
InChIInChI=1S/C20H25NO4/c1-23-17-8-9-18(24-2)15(12-17)13-20(22,16-6-4-3-5-7-16)19-14-21-10-11-25-19/h3-9,12,19,21-22H,10-11,13-14H2,1-2H3/t19-,20-/m1/s1
InChIKeyMNXJARQXVSJOQR-WOJBJXKFSA-N
XLogP2.12
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69290815
(1R)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69290774
2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69292927
(1S)-2-(2-ethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol
CID 69291601
1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
CID 143010879
(1S)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 69292907
iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 158449905
(1R)-2-(2-fluorophenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69289132
(1R)-2-(2,5-dichlorophenyl)-1-morpholin-2-yl-1-phenylethanol
CID 71097253
2-[2-(4-chlorophenyl)phenyl]-1-morpholin-2-yl-1-phenylethanol
CID 69290782
(1R)-2-(5-fluoro-2-methoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-(oxan-4-yl)ethanol;hydrochloride
CID 11153073
(1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride
CID 146156612

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol (CID 159038319) is (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol is COc1ccc(OC)c(C[C@@](O)(c2ccccc2)[C@H]2CNCCO2)c1.
What is the InChIKey of (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol?
The InChIKey is MNXJARQXVSJOQR-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H25NO4/c1-23-17-8-9-18(24-2)15(12-17)13-20(22,16-6-4-3-5-7-16)19-14-21-10-11-25-19/h3-9,12,19,21-22H,10-11,13-14H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol?
(1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol has a molecular weight of 343.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol is sourced from PubChem (CID 159038319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).