(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol

C28H32ClNO3 — CID 28952686

IUPAC(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
SMILESCCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H32ClNO3/c1-2-33-26-14-10-24(11-15-26)28(31,20-22-6-4-3-5-7-22)27(21-30-16-18-32-19-17-30)23-8-12-25(29)13-9-23/h3-15,27,31H,2,16-21H2,1H3/t27-,28-/m0/s1
InChIKeyZMLNNQLTGUYYCA-NSOVKSMOSA-N
MW466.02 g/mol
LogP5.28
Rot. Bonds9

About (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol

(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol (PubChem CID 28952686) has the molecular formula C28H32ClNO3 and a molecular weight of 466.02 g/mol. Its IUPAC name is (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
PubChem CID28952686
Molecular FormulaC28H32ClNO3
Molecular Weight466.02 g/mol
Exact Mass465.21
IUPAC Name(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
SMILESCCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H32ClNO3/c1-2-33-26-14-10-24(11-15-26)28(31,20-22-6-4-3-5-7-22)27(21-30-16-18-32-19-17-30)23-8-12-25(29)13-9-23/h3-15,27,31H,2,16-21H2,1H3/t27-,28-/m0/s1
InChIKeyZMLNNQLTGUYYCA-NSOVKSMOSA-N
XLogP5.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.02
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952674
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 29184632
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
CID 45128037
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 1116989
2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 2871832
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 29347408
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol?
The IUPAC name of (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol (CID 28952686) is (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol is CCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol?
The InChIKey is ZMLNNQLTGUYYCA-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H32ClNO3/c1-2-33-26-14-10-24(11-15-26)28(31,20-22-6-4-3-5-7-22)27(21-30-16-18-32-19-17-30)23-8-12-25(29)13-9-23/h3-15,27,31H,2,16-21H2,1H3/t27-,28-/m0/s1.
What are the key properties of (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol?
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol has a molecular weight of 466.02 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol is sourced from PubChem (CID 28952686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).