2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol

C20H24ClNO2 — CID 23940284

IUPAC2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
SMILESOC(CCN1CCOCC1)(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO2/c21-19-8-6-18(7-9-19)20(23,16-17-4-2-1-3-5-17)10-11-22-12-14-24-15-13-22/h1-9,23H,10-16H2
InChIKeyCNZDVSVAODNGMJ-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.49
Rot. Bonds6

About 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol

2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol (PubChem CID 23940284) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
PubChem CID23940284
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
SMILESOC(CCN1CCOCC1)(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO2/c21-19-8-6-18(7-9-19)20(23,16-17-4-2-1-3-5-17)10-11-22-12-14-24-15-13-22/h1-9,23H,10-16H2
InChIKeyCNZDVSVAODNGMJ-UHFFFAOYSA-N
XLogP3.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol;hydrochloride
CID 163342753
1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
CID 134093965
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
CID 34686638
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686
3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 126476579
methane;4-(2-phenylethyl)morpholine
CID 143698819
3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
CID 45132676
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-1,1-diphenylpropan-1-ol
CID 23441029
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol (CID 23940284) is 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol is OC(CCN1CCOCC1)(Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol?
The InChIKey is CNZDVSVAODNGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c21-19-8-6-18(7-9-19)20(23,16-17-4-2-1-3-5-17)10-11-22-12-14-24-15-13-22/h1-9,23H,10-16H2.
What are the key properties of 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol?
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol has a molecular weight of 345.87 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol is sourced from PubChem (CID 23940284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).