1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol

C24H33NO2 — CID 134093965

IUPAC1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
SMILESCC(C)(C)c1ccc(CC(O)(CCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-23(2,3)21-11-9-20(10-12-21)19-24(26,22-7-5-4-6-8-22)13-14-25-15-17-27-18-16-25/h4-12,26H,13-19H2,1-3H3
InChIKeyPVMNEACVIJZLGA-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.14
Rot. Bonds6

About 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol

1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol (PubChem CID 134093965) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
PubChem CID134093965
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
SMILESCC(C)(C)c1ccc(CC(O)(CCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-23(2,3)21-11-9-20(10-12-21)19-24(26,22-7-5-4-6-8-22)13-14-25-15-17-27-18-16-25/h4-12,26H,13-19H2,1-3H3
InChIKeyPVMNEACVIJZLGA-UHFFFAOYSA-N
XLogP4.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.14
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
CID 23940284
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol;hydrochloride
CID 163342753
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 126476579
2-ethyl-4-morpholin-4-yl-2-phenylbutanamide
CID 18114
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599
3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
CID 45132676
(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
CID 34686638
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 158025581
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol (CID 134093965) is 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol is CC(C)(C)c1ccc(CC(O)(CCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol?
The InChIKey is PVMNEACVIJZLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-23(2,3)21-11-9-20(10-12-21)19-24(26,22-7-5-4-6-8-22)13-14-25-15-17-27-18-16-25/h4-12,26H,13-19H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol?
1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol has a molecular weight of 367.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol is sourced from PubChem (CID 134093965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).