1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

C23H39NO3 — CID 2932840

IUPAC1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCCC(C)(C)c1ccc(OCC(O)CN2CCOCC2)c(C(C)(C)CC)c1
InChIInChI=1S/C23H39NO3/c1-7-22(3,4)18-9-10-21(20(15-18)23(5,6)8-2)27-17-19(25)16-24-11-13-26-14-12-24/h9-10,15,19,25H,7-8,11-14,16-17H2,1-6H3
InChIKeyPHORGQHWYHUUKN-UHFFFAOYSA-N
MW377.57 g/mol
LogP4.13
Rot. Bonds9

About 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 2932840) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID2932840
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC Name1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCCC(C)(C)c1ccc(OCC(O)CN2CCOCC2)c(C(C)(C)CC)c1
InChIInChI=1S/C23H39NO3/c1-7-22(3,4)18-9-10-21(20(15-18)23(5,6)8-2)27-17-19(25)16-24-11-13-26-14-12-24/h9-10,15,19,25H,7-8,11-14,16-17H2,1-6H3
InChIKeyPHORGQHWYHUUKN-UHFFFAOYSA-N
XLogP4.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;hydrochloride
CID 126477734
1-(2,4-ditert-butylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 45283684
(2S)-1-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]-3-iodophenyl]propan-2-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 135375856
1-(benzylamino)-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 4149614
1-[4-[2-[3-chloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol;(2S)-1-[4-[2-[3-chloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol;(2S)-1-[4-[2-[3-chloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol;(2R)-1-[4-[2-[3-chloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol;(2R)-1-[4-[2-[3-chloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 158415364
1-[4-(ethylaminomethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45240559
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
(2S)-1-[4-[2-[3-bromo-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 158411880
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 11971912
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 2932840) is 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is CCC(C)(C)c1ccc(OCC(O)CN2CCOCC2)c(C(C)(C)CC)c1.
What is the InChIKey of 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is PHORGQHWYHUUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO3/c1-7-22(3,4)18-9-10-21(20(15-18)23(5,6)8-2)27-17-19(25)16-24-11-13-26-14-12-24/h9-10,15,19,25H,7-8,11-14,16-17H2,1-6H3.
What are the key properties of 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 377.57 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 2932840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).