(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol

C24H32ClNO2 — CID 29184797

IUPAC(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
SMILESCCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H32ClNO2/c1-3-13-24(27,21-9-5-19(4-2)6-10-21)23(18-26-14-16-28-17-15-26)20-7-11-22(25)12-8-20/h5-12,23,27H,3-4,13-18H2,1-2H3/t23-,24-/m0/s1
InChIKeyYDUPEQQCLPGGEM-ZEQRLZLVSA-N
MW401.98 g/mol
LogP5.01
Rot. Bonds8

About (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol

(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol (PubChem CID 29184797) has the molecular formula C24H32ClNO2 and a molecular weight of 401.98 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
PubChem CID29184797
Molecular FormulaC24H32ClNO2
Molecular Weight401.98 g/mol
Exact Mass401.21
IUPAC Name(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
SMILESCCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H32ClNO2/c1-3-13-24(27,21-9-5-19(4-2)6-10-21)23(18-26-14-16-28-17-15-26)20-7-11-22(25)12-8-20/h5-12,23,27H,3-4,13-18H2,1-2H3/t23-,24-/m0/s1
InChIKeyYDUPEQQCLPGGEM-ZEQRLZLVSA-N
XLogP5.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.98
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
(2S,3S)-3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952833
(2S,3S)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949496
(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949578
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952674
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 45128060
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
CID 45128058
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 23606863
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol (CID 29184797) is (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol is CCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol?
The InChIKey is YDUPEQQCLPGGEM-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H32ClNO2/c1-3-13-24(27,21-9-5-19(4-2)6-10-21)23(18-26-14-16-28-17-15-26)20-7-11-22(25)12-8-20/h5-12,23,27H,3-4,13-18H2,1-2H3/t23-,24-/m0/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol?
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol has a molecular weight of 401.98 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol is sourced from PubChem (CID 29184797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).