3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol

C28H41NO2 — CID 45128060

IUPAC3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
SMILESCCCCCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C28H41NO2/c1-3-5-6-7-11-18-28(30,26-16-14-24(4-2)15-17-26)27(25-12-9-8-10-13-25)23-29-19-21-31-22-20-29/h8-10,12-17,27,30H,3-7,11,18-23H2,1-2H3
InChIKeyNSXQMHDRZLIFNJ-UHFFFAOYSA-N
MW423.64 g/mol
LogP5.91
Rot. Bonds12

About 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol

3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol (PubChem CID 45128060) has the molecular formula C28H41NO2 and a molecular weight of 423.64 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
PubChem CID45128060
Molecular FormulaC28H41NO2
Molecular Weight423.64 g/mol
Exact Mass423.31
IUPAC Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
SMILESCCCCCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C28H41NO2/c1-3-5-6-7-11-18-28(30,26-16-14-24(4-2)15-17-26)27(25-12-9-8-10-13-25)23-29-19-21-31-22-20-29/h8-10,12-17,27,30H,3-7,11,18-23H2,1-2H3
InChIKeyNSXQMHDRZLIFNJ-UHFFFAOYSA-N
XLogP5.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
CID 45128058
(2S,3S)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949496
(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
(2R,3S)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 98214159
(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
(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949578
(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949464
(2S,3S)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949467
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
(2R,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-yldecan-3-ol
CID 98213589

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol?
The IUPAC name of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol (CID 45128060) is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol.
What is the SMILES notation for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol?
The canonical SMILES for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol is CCCCCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol?
The InChIKey is NSXQMHDRZLIFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO2/c1-3-5-6-7-11-18-28(30,26-16-14-24(4-2)15-17-26)27(25-12-9-8-10-13-25)23-29-19-21-31-22-20-29/h8-10,12-17,27,30H,3-7,11,18-23H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol?
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol has a molecular weight of 423.64 g/mol, XLogP of 5.91, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol is sourced from PubChem (CID 45128060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).