2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride

C27H32ClNO3 — CID 146051967

IUPAC2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
SMILESCOc1ccc(C(O)(Cc2ccccc2)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C27H31NO3.ClH/c1-30-25-14-12-24(13-15-25)27(29,20-22-8-4-2-5-9-22)26(23-10-6-3-7-11-23)21-28-16-18-31-19-17-28;/h2-15,26,29H,16-21H2,1H3;1H
InChIKeySIUPVVPIYJRKBG-UHFFFAOYSA-N
MW454.01 g/mol
LogP4.66
Rot. Bonds8

About 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride

2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride (PubChem CID 146051967) has the molecular formula C27H32ClNO3 and a molecular weight of 454.01 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
PubChem CID146051967
Molecular FormulaC27H32ClNO3
Molecular Weight454.01 g/mol
Exact Mass453.21
IUPAC Name2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
SMILESCOc1ccc(C(O)(Cc2ccccc2)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C27H31NO3.ClH/c1-30-25-14-12-24(13-15-25)27(29,20-22-8-4-2-5-9-22)26(23-10-6-3-7-11-23)21-28-16-18-31-19-17-28;/h2-15,26,29H,16-21H2,1H3;1H
InChIKeySIUPVVPIYJRKBG-UHFFFAOYSA-N
XLogP4.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.01
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
CID 45128037
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 1116989
2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 2871832
(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-phenylnonan-3-ol
CID 28949139
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146051994
(1S,2R)-1-cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949434

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride (CID 146051967) is 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride is COc1ccc(C(O)(Cc2ccccc2)C(CN2CCOCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride?
The InChIKey is SIUPVVPIYJRKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3.ClH/c1-30-25-14-12-24(13-15-25)27(29,20-22-8-4-2-5-9-22)26(23-10-6-3-7-11-23)21-28-16-18-31-19-17-28;/h2-15,26,29H,16-21H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride?
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride has a molecular weight of 454.01 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride is sourced from PubChem (CID 146051967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).