2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol

C28H32ClNO3 — CID 23606863

IUPAC2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
SMILESCCc1ccc(C(O)(c2ccccc2OC)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H32ClNO3/c1-3-21-8-12-23(13-9-21)28(31,25-6-4-5-7-27(25)32-2)26(20-30-16-18-33-19-17-30)22-10-14-24(29)15-11-22/h4-15,26,31H,3,16-20H2,1-2H3
InChIKeyOQGQDVGDTWHHEJ-UHFFFAOYSA-N
MW466.02 g/mol
LogP5.26
Rot. Bonds8

About 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol

2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol (PubChem CID 23606863) has the molecular formula C28H32ClNO3 and a molecular weight of 466.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
PubChem CID23606863
Molecular FormulaC28H32ClNO3
Molecular Weight466.02 g/mol
Exact Mass465.21
IUPAC Name2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
SMILESCCc1ccc(C(O)(c2ccccc2OC)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H32ClNO3/c1-3-21-8-12-23(13-9-21)28(31,25-6-4-5-7-27(25)32-2)26(20-30-16-18-33-19-17-30)22-10-14-24(29)15-11-22/h4-15,26,31H,3,16-20H2,1-2H3
InChIKeyOQGQDVGDTWHHEJ-UHFFFAOYSA-N
XLogP5.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.02
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol
CID 45106438
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 23605680
1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
CID 146052061
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
(1R,2S)-1-(2-methoxyphenyl)-1-[4-(3-methylbutoxy)phenyl]-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 34568197
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 146679977
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
CID 42563522

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol (CID 23606863) is 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol is CCc1ccc(C(O)(c2ccccc2OC)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The InChIKey is OQGQDVGDTWHHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClNO3/c1-3-21-8-12-23(13-9-21)28(31,25-6-4-5-7-27(25)32-2)26(20-30-16-18-33-19-17-30)22-10-14-24(29)15-11-22/h4-15,26,31H,3,16-20H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol has a molecular weight of 466.02 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 23606863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).