(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol

C24H32ClNO3 — CID 29184632

IUPAC(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
SMILESCCOc1ccc([C@@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H32ClNO3/c1-4-29-22-11-7-20(8-12-22)24(27,18(2)3)23(17-26-13-15-28-16-14-26)19-5-9-21(25)10-6-19/h5-12,18,23,27H,4,13-17H2,1-3H3/t23-,24-/m0/s1
InChIKeyPJLUFNUVHYKZCR-ZEQRLZLVSA-N
MW417.98 g/mol
LogP4.70
Rot. Bonds8

About (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol

(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol (PubChem CID 29184632) has the molecular formula C24H32ClNO3 and a molecular weight of 417.98 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
PubChem CID29184632
Molecular FormulaC24H32ClNO3
Molecular Weight417.98 g/mol
Exact Mass417.21
IUPAC Name(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
SMILESCCOc1ccc([C@@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H32ClNO3/c1-4-29-22-11-7-20(8-12-22)24(27,18(2)3)23(17-26-13-15-28-16-14-26)19-5-9-21(25)10-6-19/h5-12,18,23,27H,4,13-17H2,1-3H3/t23-,24-/m0/s1
InChIKeyPJLUFNUVHYKZCR-ZEQRLZLVSA-N
XLogP4.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 29347408
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 23606585
2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146052076
(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
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
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
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
CID 42563522
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol (CID 29184632) is (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol is CCOc1ccc([C@@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
The InChIKey is PJLUFNUVHYKZCR-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H32ClNO3/c1-4-29-22-11-7-20(8-12-22)24(27,18(2)3)23(17-26-13-15-28-16-14-26)19-5-9-21(25)10-6-19/h5-12,18,23,27H,4,13-17H2,1-3H3/t23-,24-/m0/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol has a molecular weight of 417.98 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol is sourced from PubChem (CID 29184632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).