(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol

C21H26ClNO3 — CID 42563522

IUPAC(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
SMILESCOc1ccc([C@@](C)(O)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H26ClNO3/c1-21(24,17-5-9-19(25-2)10-6-17)20(15-23-11-13-26-14-12-23)16-3-7-18(22)8-4-16/h3-10,20,24H,11-15H2,1-2H3/t20-,21+/m0/s1
InChIKeyXTBFRNVBMLNREL-LEWJYISDSA-N
MW375.90 g/mol
LogP3.67
Rot. Bonds6

About (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol

(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol (PubChem CID 42563522) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
PubChem CID42563522
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
SMILESCOc1ccc([C@@](C)(O)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H26ClNO3/c1-21(24,17-5-9-19(25-2)10-6-17)20(15-23-11-13-26-14-12-23)16-3-7-18(22)8-4-16/h3-10,20,24H,11-15H2,1-2H3/t20-,21+/m0/s1
InChIKeyXTBFRNVBMLNREL-LEWJYISDSA-N
XLogP3.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
(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-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 29184632
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952674
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
(2S,3S)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949467
(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949464

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol?
The IUPAC name of (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol (CID 42563522) is (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol.
What is the SMILES notation for (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol?
The canonical SMILES for (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol is COc1ccc([C@@](C)(O)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol?
The InChIKey is XTBFRNVBMLNREL-LEWJYISDSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-21(24,17-5-9-19(25-2)10-6-17)20(15-23-11-13-26-14-12-23)16-3-7-18(22)8-4-16/h3-10,20,24H,11-15H2,1-2H3/t20-,21+/m0/s1.
What are the key properties of (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol?
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol has a molecular weight of 375.90 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol is sourced from PubChem (CID 42563522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).