2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride

C22H29Cl2NO3 — CID 146051994

IUPAC2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
SMILESCCC(O)(c1ccc(OC)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C22H28ClNO3.ClH/c1-3-22(25,18-6-10-20(26-2)11-7-18)21(16-24-12-14-27-15-13-24)17-4-8-19(23)9-5-17;/h4-11,21,25H,3,12-16H2,1-2H3;1H
InChIKeyJZNVTKMQKJVMOL-UHFFFAOYSA-N
MW426.38 g/mol
LogP4.48
Rot. Bonds7

About 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride

2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride (PubChem CID 146051994) has the molecular formula C22H29Cl2NO3 and a molecular weight of 426.38 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
PubChem CID146051994
Molecular FormulaC22H29Cl2NO3
Molecular Weight426.38 g/mol
Exact Mass425.15
IUPAC Name2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
SMILESCCC(O)(c1ccc(OC)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C22H28ClNO3.ClH/c1-3-22(25,18-6-10-20(26-2)11-7-18)21(16-24-12-14-27-15-13-24)17-4-8-19(23)9-5-17;/h4-11,21,25H,3,12-16H2,1-2H3;1H
InChIKeyJZNVTKMQKJVMOL-UHFFFAOYSA-N
XLogP4.48
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
CID 42563522
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 23606585
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952674
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
(2S,3S)-3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952833

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride (CID 146051994) is 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride is CCC(O)(c1ccc(OC)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
The InChIKey is JZNVTKMQKJVMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO3.ClH/c1-3-22(25,18-6-10-20(26-2)11-7-18)21(16-24-12-14-27-15-13-24)17-4-8-19(23)9-5-17;/h4-11,21,25H,3,12-16H2,1-2H3;1H.
What are the key properties of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride has a molecular weight of 426.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride is sourced from PubChem (CID 146051994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).