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

C19H25Cl2NO3 — CID 73349828

IUPAC(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride
SMILESCOc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1.Cl.Cl
InChIInChI=1S/C19H23NO3.2ClH/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;2*1H/t18-,19+;;/m0../s1
InChIKeyKVIXRWQLEHRFLW-DPSPSOFVSA-N
MW386.32 g/mol
LogP2.96
Rot. Bonds5

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

(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride (PubChem CID 73349828) has the molecular formula C19H25Cl2NO3 and a molecular weight of 386.32 g/mol. Its IUPAC name is (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride.

Molecular Properties

Compound Name(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride
PubChem CID73349828
Molecular FormulaC19H25Cl2NO3
Molecular Weight386.32 g/mol
Exact Mass385.12
IUPAC Name(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride
SMILESCOc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1.Cl.Cl
InChIInChI=1S/C19H23NO3.2ClH/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;2*1H/t18-,19+;;/m0../s1
InChIKeyKVIXRWQLEHRFLW-DPSPSOFVSA-N
XLogP2.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.96
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;dihydrochloride?
The IUPAC name of (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride (CID 73349828) is (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride.
What is the SMILES notation for (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride?
The canonical SMILES for (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride is COc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1.Cl.Cl.
What is the InChIKey of (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride?
The InChIKey is KVIXRWQLEHRFLW-DPSPSOFVSA-N. The full InChI is InChI=1S/C19H23NO3.2ClH/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;2*1H/t18-,19+;;/m0../s1.
What are the key properties of (1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride?
(1R)-2-(2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol;dihydrochloride has a molecular weight of 386.32 g/mol, XLogP of 2.96, 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;dihydrochloride is sourced from PubChem (CID 73349828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).