2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol

C24H32ClNO3 — CID 23606587

IUPAC2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
SMILESCOc1ccc(C(O)(CC(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H32ClNO3/c1-18(2)16-24(27,20-6-10-22(28-3)11-7-20)23(17-26-12-14-29-15-13-26)19-4-8-21(25)9-5-19/h4-11,18,23,27H,12-17H2,1-3H3
InChIKeyMDDIGKZIVUQBLA-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.70
Rot. Bonds8

About 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol

2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol (PubChem CID 23606587) has the molecular formula C24H32ClNO3 and a molecular weight of 417.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
PubChem CID23606587
Molecular FormulaC24H32ClNO3
Molecular Weight417.98 g/mol
Exact Mass417.21
IUPAC Name2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
SMILESCOc1ccc(C(O)(CC(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H32ClNO3/c1-18(2)16-24(27,20-6-10-22(28-3)11-7-20)23(17-26-12-14-29-15-13-26)19-4-8-21(25)9-5-19/h4-11,18,23,27H,12-17H2,1-3H3
InChIKeyMDDIGKZIVUQBLA-UHFFFAOYSA-N
XLogP4.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 23606585
(2S,3R)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-morpholin-4-ylbutan-2-ol
CID 42563522
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2R,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952674
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 29184632
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol (CID 23606587) is 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol is COc1ccc(C(O)(CC(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol?
The InChIKey is MDDIGKZIVUQBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO3/c1-18(2)16-24(27,20-6-10-22(28-3)11-7-20)23(17-26-12-14-29-15-13-26)19-4-8-21(25)9-5-19/h4-11,18,23,27H,12-17H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol?
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol has a molecular weight of 417.98 g/mol, XLogP of 4.70, 8 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)-5-methyl-1-morpholin-4-ylhexan-3-ol is sourced from PubChem (CID 23606587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).