3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride

C27H40ClNO2 — CID 45128058

IUPAC3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
SMILESCCCCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C27H39NO2.ClH/c1-3-5-6-10-17-27(29,25-15-13-23(4-2)14-16-25)26(24-11-8-7-9-12-24)22-28-18-20-30-21-19-28;/h7-9,11-16,26,29H,3-6,10,17-22H2,1-2H3;1H
InChIKeyPZQYCBSGFDHFSV-UHFFFAOYSA-N
MW446.08 g/mol
LogP5.94
Rot. Bonds11

About 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride

3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride (PubChem CID 45128058) has the molecular formula C27H40ClNO2 and a molecular weight of 446.08 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
PubChem CID45128058
Molecular FormulaC27H40ClNO2
Molecular Weight446.08 g/mol
Exact Mass445.27
IUPAC Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
SMILESCCCCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C27H39NO2.ClH/c1-3-5-6-10-17-27(29,25-15-13-23(4-2)14-16-25)26(24-11-8-7-9-12-24)22-28-18-20-30-21-19-28;/h7-9,11-16,26,29H,3-6,10,17-22H2,1-2H3;1H
InChIKeyPZQYCBSGFDHFSV-UHFFFAOYSA-N
XLogP5.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.08
LogP ≤ 55.94
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-phenyldecan-3-ol
CID 45128060
(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-phenylnonan-3-ol;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride (CID 45128058) is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride is CCCCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride?
The InChIKey is PZQYCBSGFDHFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO2.ClH/c1-3-5-6-10-17-27(29,25-15-13-23(4-2)14-16-25)26(24-11-8-7-9-12-24)22-28-18-20-30-21-19-28;/h7-9,11-16,26,29H,3-6,10,17-22H2,1-2H3;1H.
What are the key properties of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride?
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride has a molecular weight of 446.08 g/mol, XLogP of 5.94, 11 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-phenylnonan-3-ol;hydrochloride is sourced from PubChem (CID 45128058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).