(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol

C28H32ClNO4 — CID 29184655

IUPAC(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
SMILESCCOc1ccc([C@@](O)(c2ccccc2OC)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H32ClNO4/c1-3-34-24-14-10-22(11-15-24)28(31,25-6-4-5-7-27(25)32-2)26(20-30-16-18-33-19-17-30)21-8-12-23(29)13-9-21/h4-15,26,31H,3,16-20H2,1-2H3/t26-,28-/m1/s1
InChIKeyZKWLYVDXZMDWBZ-IXCJQBJRSA-N
MW482.02 g/mol
LogP5.10
Rot. Bonds9

About (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol

(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol (PubChem CID 29184655) has the molecular formula C28H32ClNO4 and a molecular weight of 482.02 g/mol. Its IUPAC name is (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
PubChem CID29184655
Molecular FormulaC28H32ClNO4
Molecular Weight482.02 g/mol
Exact Mass481.20
IUPAC Name(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
SMILESCCOc1ccc([C@@](O)(c2ccccc2OC)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H32ClNO4/c1-3-34-24-14-10-22(11-15-24)28(31,25-6-4-5-7-27(25)32-2)26(20-30-16-18-33-19-17-30)21-8-12-23(29)13-9-21/h4-15,26,31H,3,16-20H2,1-2H3/t26-,28-/m1/s1
InChIKeyZKWLYVDXZMDWBZ-IXCJQBJRSA-N
XLogP5.10
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.02
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 23605680
2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 23606863
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
(1R,2S)-1-(2-methoxyphenyl)-1-[4-(3-methylbutoxy)phenyl]-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 34568197
4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol
CID 45106438
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
CID 146052061
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 29184632
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952674
2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 146679977

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The IUPAC name of (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol (CID 29184655) is (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol is CCOc1ccc([C@@](O)(c2ccccc2OC)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The InChIKey is ZKWLYVDXZMDWBZ-IXCJQBJRSA-N. The full InChI is InChI=1S/C28H32ClNO4/c1-3-34-24-14-10-22(11-15-24)28(31,25-6-4-5-7-27(25)32-2)26(20-30-16-18-33-19-17-30)21-8-12-23(29)13-9-21/h4-15,26,31H,3,16-20H2,1-2H3/t26-,28-/m1/s1.
What are the key properties of (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol has a molecular weight of 482.02 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 29184655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).