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

C27H30ClNO3 — CID 29184647

IUPAC(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESCCOc1ccc([C@@](O)(c2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H30ClNO3/c1-2-32-25-14-10-23(11-15-25)27(30,22-6-4-3-5-7-22)26(20-29-16-18-31-19-17-29)21-8-12-24(28)13-9-21/h3-15,26,30H,2,16-20H2,1H3/t26-,27-/m0/s1
InChIKeyYOXRGBIAAPIYCD-SVBPBHIXSA-N
MW451.99 g/mol
LogP5.09
Rot. Bonds8

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

(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol (PubChem CID 29184647) has the molecular formula C27H30ClNO3 and a molecular weight of 451.99 g/mol. Its IUPAC name is (1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
PubChem CID29184647
Molecular FormulaC27H30ClNO3
Molecular Weight451.99 g/mol
Exact Mass451.19
IUPAC Name(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESCCOc1ccc([C@@](O)(c2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H30ClNO3/c1-2-32-25-14-10-23(11-15-25)27(30,22-6-4-3-5-7-22)26(20-29-16-18-31-19-17-29)21-8-12-24(28)13-9-21/h3-15,26,30H,2,16-20H2,1H3/t26-,27-/m0/s1
InChIKeyYOXRGBIAAPIYCD-SVBPBHIXSA-N
XLogP5.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.99
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
(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
1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 24748034
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 23605680
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 29347408
(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
(1R,2R)-3-(azepan-1-yl)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-2-phenylpropan-1-ol
CID 40965480

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol (CID 29184647) is (1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol is CCOc1ccc([C@@](O)(c2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The InChIKey is YOXRGBIAAPIYCD-SVBPBHIXSA-N. The full InChI is InChI=1S/C27H30ClNO3/c1-2-32-25-14-10-23(11-15-25)27(30,22-6-4-3-5-7-22)26(20-29-16-18-31-19-17-29)21-8-12-24(28)13-9-21/h3-15,26,30H,2,16-20H2,1H3/t26-,27-/m0/s1.
What are the key properties of (1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol has a molecular weight of 451.99 g/mol, XLogP of 5.09, 8 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-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 29184647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).