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

C22H29NO3 — CID 28949321

IUPAC(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
SMILESCC[C@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H29NO3/c1-3-22(24,19-9-11-20(25-2)12-10-19)21(18-7-5-4-6-8-18)17-23-13-15-26-16-14-23/h4-12,21,24H,3,13-17H2,1-2H3/t21-,22-/m0/s1
InChIKeyIZGQZUSXMGTWGK-VXKWHMMOSA-N
MW355.48 g/mol
LogP3.41
Rot. Bonds7

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

(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol (PubChem CID 28949321) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
PubChem CID28949321
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
SMILESCC[C@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H29NO3/c1-3-22(24,19-9-11-20(25-2)12-10-19)21(18-7-5-4-6-8-18)17-23-13-15-26-16-14-23/h4-12,21,24H,3,13-17H2,1-2H3/t21-,22-/m0/s1
InChIKeyIZGQZUSXMGTWGK-VXKWHMMOSA-N
XLogP3.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol
CID 28949139
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
(1S,2R)-1-cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949434
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol?
The IUPAC name of (2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol (CID 28949321) is (2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol.
What is the SMILES notation for (2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol?
The canonical SMILES for (2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol is CC[C@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of (2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol?
The InChIKey is IZGQZUSXMGTWGK-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-22(24,19-9-11-20(25-2)12-10-19)21(18-7-5-4-6-8-18)17-23-13-15-26-16-14-23/h4-12,21,24H,3,13-17H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of (2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol?
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol has a molecular weight of 355.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol is sourced from PubChem (CID 28949321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).