(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol

C26H28ClNO3 — CID 28952661

IUPAC(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESCOc1ccc([C@@](O)(c2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H28ClNO3/c1-30-24-13-9-22(10-14-24)26(29,21-5-3-2-4-6-21)25(19-28-15-17-31-18-16-28)20-7-11-23(27)12-8-20/h2-14,25,29H,15-19H2,1H3/t25-,26-/m0/s1
InChIKeyNSNMRRSJBXMBCJ-UIOOFZCWSA-N
MW437.97 g/mol
LogP4.70
Rot. Bonds7

About (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol

(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol (PubChem CID 28952661) has the molecular formula C26H28ClNO3 and a molecular weight of 437.97 g/mol. Its IUPAC name is (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
PubChem CID28952661
Molecular FormulaC26H28ClNO3
Molecular Weight437.97 g/mol
Exact Mass437.18
IUPAC Name(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESCOc1ccc([C@@](O)(c2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H28ClNO3/c1-30-24-13-9-22(10-14-24)26(29,21-5-3-2-4-6-21)25(19-28-15-17-31-18-16-28)20-7-11-23(27)12-8-20/h2-14,25,29H,15-19H2,1H3/t25-,26-/m0/s1
InChIKeyNSNMRRSJBXMBCJ-UIOOFZCWSA-N
XLogP4.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol with MolForge

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Related Compounds

(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
CID 42563522
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 23606585
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 28949289
2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 23606863
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol (CID 28952661) is (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol is COc1ccc([C@@](O)(c2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The InChIKey is NSNMRRSJBXMBCJ-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H28ClNO3/c1-30-24-13-9-22(10-14-24)26(29,21-5-3-2-4-6-21)25(19-28-15-17-31-18-16-28)20-7-11-23(27)12-8-20/h2-14,25,29H,15-19H2,1H3/t25-,26-/m0/s1.
What are the key properties of (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol has a molecular weight of 437.97 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 28952661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).