(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol

C26H37NO3 — CID 92697716

IUPAC(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCCCOc1ccc([C@@](O)(CCC)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C26H37NO3/c1-3-5-18-30-24-13-11-23(12-14-24)26(28,15-4-2)25(22-9-7-6-8-10-22)21-27-16-19-29-20-17-27/h6-14,25,28H,3-5,15-21H2,1-2H3/t25-,26-/m0/s1
InChIKeyDIBAFDMSKKHAMC-UIOOFZCWSA-N
MW411.59 g/mol
LogP4.97
Rot. Bonds11

About (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol

(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol (PubChem CID 92697716) has the molecular formula C26H37NO3 and a molecular weight of 411.59 g/mol. Its IUPAC name is (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
PubChem CID92697716
Molecular FormulaC26H37NO3
Molecular Weight411.59 g/mol
Exact Mass411.28
IUPAC Name(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCCCOc1ccc([C@@](O)(CCC)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C26H37NO3/c1-3-5-18-30-24-13-11-23(12-14-24)26(28,15-4-2)25(22-9-7-6-8-10-22)21-27-16-19-29-20-17-27/h6-14,25,28H,3-5,15-21H2,1-2H3/t25-,26-/m0/s1
InChIKeyDIBAFDMSKKHAMC-UIOOFZCWSA-N
XLogP4.97
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 98214159
(2S,3S)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873947
(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873941
(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol
CID 28949139
(2S,3S)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949496
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
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
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952674
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The IUPAC name of (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol (CID 92697716) is (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol.
What is the SMILES notation for (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The canonical SMILES for (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol is CCCCOc1ccc([C@@](O)(CCC)[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The InChIKey is DIBAFDMSKKHAMC-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H37NO3/c1-3-5-18-30-24-13-11-23(12-14-24)26(28,15-4-2)25(22-9-7-6-8-10-22)21-27-16-19-29-20-17-27/h6-14,25,28H,3-5,15-21H2,1-2H3/t25-,26-/m0/s1.
What are the key properties of (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol has a molecular weight of 411.59 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol is sourced from PubChem (CID 92697716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).