2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol

C23H30ClNO3 — CID 23606585

IUPAC2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
SMILESCOc1ccc(C(O)(C(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H30ClNO3/c1-17(2)23(26,19-6-10-21(27-3)11-7-19)22(16-25-12-14-28-15-13-25)18-4-8-20(24)9-5-18/h4-11,17,22,26H,12-16H2,1-3H3
InChIKeyCZTTXQZGPVVVHN-UHFFFAOYSA-N
MW403.95 g/mol
LogP4.31
Rot. Bonds7

About 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol

2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol (PubChem CID 23606585) has the molecular formula C23H30ClNO3 and a molecular weight of 403.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
PubChem CID23606585
Molecular FormulaC23H30ClNO3
Molecular Weight403.95 g/mol
Exact Mass403.19
IUPAC Name2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
SMILESCOc1ccc(C(O)(C(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H30ClNO3/c1-17(2)23(26,19-6-10-21(27-3)11-7-19)22(16-25-12-14-28-15-13-25)18-4-8-20(24)9-5-18/h4-11,17,22,26H,12-16H2,1-3H3
InChIKeyCZTTXQZGPVVVHN-UHFFFAOYSA-N
XLogP4.31
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 29184632
2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146052076
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
CID 42563522
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 29347408
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952674
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol (CID 23606585) is 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol is COc1ccc(C(O)(C(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
The InChIKey is CZTTXQZGPVVVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO3/c1-17(2)23(26,19-6-10-21(27-3)11-7-19)22(16-25-12-14-28-15-13-25)18-4-8-20(24)9-5-18/h4-11,17,22,26H,12-16H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol has a molecular weight of 403.95 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol is sourced from PubChem (CID 23606585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).