(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol

C24H33NO3 — CID 29347408

IUPAC(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
SMILESCCOc1ccc([C@@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO3/c1-4-28-22-12-10-21(11-13-22)24(26,19(2)3)23(20-8-6-5-7-9-20)18-25-14-16-27-17-15-25/h5-13,19,23,26H,4,14-18H2,1-3H3/t23-,24-/m0/s1
InChIKeyYZELSFCZUDEPPS-ZEQRLZLVSA-N
MW383.53 g/mol
LogP4.04
Rot. Bonds8

About (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol

(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol (PubChem CID 29347408) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
PubChem CID29347408
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
SMILESCCOc1ccc([C@@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO3/c1-4-28-22-12-10-21(11-13-22)24(26,19(2)3)23(20-8-6-5-7-9-20)18-25-14-16-27-17-15-25/h5-13,19,23,26H,4,14-18H2,1-3H3/t23-,24-/m0/s1
InChIKeyYZELSFCZUDEPPS-ZEQRLZLVSA-N
XLogP4.04
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 23605680
(2R,3S)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643810
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 23606585
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873941
(2S,3S)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873947
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2R,3S)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 98214159
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol?
The IUPAC name of (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol (CID 29347408) is (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol.
What is the SMILES notation for (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol?
The canonical SMILES for (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol is CCOc1ccc([C@@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol?
The InChIKey is YZELSFCZUDEPPS-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-28-22-12-10-21(11-13-22)24(26,19(2)3)23(20-8-6-5-7-9-20)18-25-14-16-27-17-15-25/h5-13,19,23,26H,4,14-18H2,1-3H3/t23-,24-/m0/s1.
What are the key properties of (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol?
(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol has a molecular weight of 383.53 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol is sourced from PubChem (CID 29347408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).