(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol

C25H35NO3 — CID 26873941

IUPAC(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
SMILESCCCCCOc1ccc([C@@](C)(O)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C25H35NO3/c1-3-4-8-17-29-23-13-11-22(12-14-23)25(2,27)24(21-9-6-5-7-10-21)20-26-15-18-28-19-16-26/h5-7,9-14,24,27H,3-4,8,15-20H2,1-2H3/t24-,25+/m0/s1
InChIKeyPATRGQJCCXOKSK-LOSJGSFVSA-N
MW397.56 g/mol
LogP4.58
Rot. Bonds10

About (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol

(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol (PubChem CID 26873941) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
PubChem CID26873941
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
SMILESCCCCCOc1ccc([C@@](C)(O)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C25H35NO3/c1-3-4-8-17-29-23-13-11-22(12-14-23)25(2,27)24(21-9-6-5-7-10-21)20-26-15-18-28-19-16-26/h5-7,9-14,24,27H,3-4,8,15-20H2,1-2H3/t24-,25+/m0/s1
InChIKeyPATRGQJCCXOKSK-LOSJGSFVSA-N
XLogP4.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.58
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

(2S,3S)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873947
(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
(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
(2R,3S)-2-(4-butoxyphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylbutan-2-ol
CID 94826410
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol
CID 28949139
(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 29347408
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 45128060
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2S,3S)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949496

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol?
The IUPAC name of (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol (CID 26873941) is (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol.
What is the SMILES notation for (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol?
The canonical SMILES for (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol is CCCCCOc1ccc([C@@](C)(O)[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol?
The InChIKey is PATRGQJCCXOKSK-LOSJGSFVSA-N. The full InChI is InChI=1S/C25H35NO3/c1-3-4-8-17-29-23-13-11-22(12-14-23)25(2,27)24(21-9-6-5-7-10-21)20-26-15-18-28-19-16-26/h5-7,9-14,24,27H,3-4,8,15-20H2,1-2H3/t24-,25+/m0/s1.
What are the key properties of (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol?
(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol has a molecular weight of 397.56 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol is sourced from PubChem (CID 26873941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).