(1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride

C18H27ClFNO4 — CID 146156612

IUPAC(1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride
SMILESCOc1ccc(F)cc1C[C@](O)(C1CCOCC1)C1CNCCO1.Cl
InChIInChI=1S/C18H26FNO4.ClH/c1-22-16-3-2-15(19)10-13(16)11-18(21,14-4-7-23-8-5-14)17-12-20-6-9-24-17;/h2-3,10,14,17,20-21H,4-9,11-12H2,1H3;1H/t17?,18-;/m0./s1
InChIKeyWJDKGRLMNSHPON-SZOUEMSFSA-N
MW375.87 g/mol
LogP1.94
Rot. Bonds5

About (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride

(1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride (PubChem CID 146156612) has the molecular formula C18H27ClFNO4 and a molecular weight of 375.87 g/mol. Its IUPAC name is (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride
PubChem CID146156612
Molecular FormulaC18H27ClFNO4
Molecular Weight375.87 g/mol
Exact Mass375.16
IUPAC Name(1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride
SMILESCOc1ccc(F)cc1C[C@](O)(C1CCOCC1)C1CNCCO1.Cl
InChIInChI=1S/C18H26FNO4.ClH/c1-22-16-3-2-15(19)10-13(16)11-18(21,14-4-7-23-8-5-14)17-12-20-6-9-24-17;/h2-3,10,14,17,20-21H,4-9,11-12H2,1H3;1H/t17?,18-;/m0./s1
InChIKeyWJDKGRLMNSHPON-SZOUEMSFSA-N
XLogP1.94
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride with MolForge

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Related Compounds

(1R)-2-(5-fluoro-2-methoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-(oxan-4-yl)ethanol;hydrochloride
CID 11153073
(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
2-(2,5-dimethoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69290815
(1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol
CID 159038319
2-[1-cyclopentyl-2-(5-fluoro-2-methoxyphenyl)ethyl]morpholine
CID 143068489
2-(2,4-difluorophenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69290801
4-fluoro-2-(2-morpholin-2-yl-2-phenylpropyl)phenol
CID 69290825
4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride
CID 70130204
3-fluoro-6-methoxy-2-morpholin-2-ylphenol
CID 117326498
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
(1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
CID 68691892

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride?
The IUPAC name of (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride (CID 146156612) is (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride.
What is the SMILES notation for (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride?
The canonical SMILES for (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride is COc1ccc(F)cc1C[C@](O)(C1CCOCC1)C1CNCCO1.Cl.
What is the InChIKey of (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride?
The InChIKey is WJDKGRLMNSHPON-SZOUEMSFSA-N. The full InChI is InChI=1S/C18H26FNO4.ClH/c1-22-16-3-2-15(19)10-13(16)11-18(21,14-4-7-23-8-5-14)17-12-20-6-9-24-17;/h2-3,10,14,17,20-21H,4-9,11-12H2,1H3;1H/t17?,18-;/m0./s1.
What are the key properties of (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride?
(1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride has a molecular weight of 375.87 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-(oxan-4-yl)ethanol;hydrochloride is sourced from PubChem (CID 146156612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).