(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride

C19H26Cl3NO3 — CID 73349830

IUPAC(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride
SMILESCOc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1.Cl.Cl.Cl
InChIInChI=1S/C19H23NO3.3ClH/c1-22-17-10-6-5-7-15(17)13-19(21,16-8-3-2-4-9-16)18-14-20-11-12-23-18;;;/h2-10,18,20-21H,11-14H2,1H3;3*1H/t18-,19+;;;/m0.../s1
InChIKeyZCSHCEYGULDLOB-SCGPDRHWSA-N
MW422.78 g/mol
LogP3.38
Rot. Bonds5

About (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride

(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride (PubChem CID 73349830) has the molecular formula C19H26Cl3NO3 and a molecular weight of 422.78 g/mol. Its IUPAC name is (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride.

Molecular Properties

Compound Name(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride
PubChem CID73349830
Molecular FormulaC19H26Cl3NO3
Molecular Weight422.78 g/mol
Exact Mass421.10
IUPAC Name(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride
SMILESCOc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1.Cl.Cl.Cl
InChIInChI=1S/C19H23NO3.3ClH/c1-22-17-10-6-5-7-15(17)13-19(21,16-8-3-2-4-9-16)18-14-20-11-12-23-18;;;/h2-10,18,20-21H,11-14H2,1H3;3*1H/t18-,19+;;;/m0.../s1
InChIKeyZCSHCEYGULDLOB-SCGPDRHWSA-N
XLogP3.38
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.78
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride?
The IUPAC name of (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride (CID 73349830) is (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride.
What is the SMILES notation for (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride?
The canonical SMILES for (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride is COc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1.Cl.Cl.Cl.
What is the InChIKey of (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride?
The InChIKey is ZCSHCEYGULDLOB-SCGPDRHWSA-N. The full InChI is InChI=1S/C19H23NO3.3ClH/c1-22-17-10-6-5-7-15(17)13-19(21,16-8-3-2-4-9-16)18-14-20-11-12-23-18;;;/h2-10,18,20-21H,11-14H2,1H3;3*1H/t18-,19+;;;/m0.../s1.
What are the key properties of (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride?
(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride has a molecular weight of 422.78 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;trihydrochloride is sourced from PubChem (CID 73349830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).