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

C25H34ClNO3 — CID 28952674

IUPAC(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
SMILESCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H34ClNO3/c1-3-5-14-25(28,21-8-12-23(13-9-21)30-4-2)24(19-27-15-17-29-18-16-27)20-6-10-22(26)11-7-20/h6-13,24,28H,3-5,14-19H2,1-2H3/t24-,25+/m0/s1
InChIKeyXMOALVBFZYUAEM-LOSJGSFVSA-N
MW432.00 g/mol
LogP5.23
Rot. Bonds10

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

(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol (PubChem CID 28952674) has the molecular formula C25H34ClNO3 and a molecular weight of 432.00 g/mol. Its IUPAC name is (2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
PubChem CID28952674
Molecular FormulaC25H34ClNO3
Molecular Weight432.00 g/mol
Exact Mass431.22
IUPAC Name(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
SMILESCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H34ClNO3/c1-3-5-14-25(28,21-8-12-23(13-9-21)30-4-2)24(19-27-15-17-29-18-16-27)20-6-10-22(26)11-7-20/h6-13,24,28H,3-5,14-19H2,1-2H3/t24-,25+/m0/s1
InChIKeyXMOALVBFZYUAEM-LOSJGSFVSA-N
XLogP5.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.00
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952833
(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
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
(2R,3S)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 98214159
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
(2R,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-yldecan-3-ol
CID 98213589
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
(2S,3S)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949496
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol?
The IUPAC name of (2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol (CID 28952674) is (2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol.
What is the SMILES notation for (2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol?
The canonical SMILES for (2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol is CCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of (2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol?
The InChIKey is XMOALVBFZYUAEM-LOSJGSFVSA-N. The full InChI is InChI=1S/C25H34ClNO3/c1-3-5-14-25(28,21-8-12-23(13-9-21)30-4-2)24(19-27-15-17-29-18-16-27)20-6-10-22(26)11-7-20/h6-13,24,28H,3-5,14-19H2,1-2H3/t24-,25+/m0/s1.
What are the key properties of (2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol?
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol has a molecular weight of 432.00 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol is sourced from PubChem (CID 28952674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).