1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol

C16H25NO3 — CID 110877512

IUPAC1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C16H25NO3/c1-13(2)14-4-3-5-16(10-14)20-12-15(18)11-17-6-8-19-9-7-17/h3-5,10,13,15,18H,6-9,11-12H2,1-2H3
InChIKeyCFOSCPMSVRFFTG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.88
Rot. Bonds6

About 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol

1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol (PubChem CID 110877512) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
PubChem CID110877512
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C16H25NO3/c1-13(2)14-4-3-5-16(10-14)20-12-15(18)11-17-6-8-19-9-7-17/h3-5,10,13,15,18H,6-9,11-12H2,1-2H3
InChIKeyCFOSCPMSVRFFTG-UHFFFAOYSA-N
XLogP1.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
CID 17393188
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol (CID 110877512) is 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol is CC(C)c1cccc(OCC(O)CN2CCOCC2)c1.
What is the InChIKey of 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is CFOSCPMSVRFFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(2)14-4-3-5-16(10-14)20-12-15(18)11-17-6-8-19-9-7-17/h3-5,10,13,15,18H,6-9,11-12H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol?
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 110877512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).