ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol

C16H27NO3 — CID 144771734

IUPACethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
SMILESCC.Cc1ccc(OCC(O)CN2CCOCC2)cc1
InChIInChI=1S/C14H21NO3.C2H6/c1-12-2-4-14(5-3-12)18-11-13(16)10-15-6-8-17-9-7-15;1-2/h2-5,13,16H,6-11H2,1H3;1-2H3
InChIKeyIWRWFMNAZNZSHY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.09
Rot. Bonds5

About ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol

ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol (PubChem CID 144771734) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Nameethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
PubChem CID144771734
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
SMILESCC.Cc1ccc(OCC(O)CN2CCOCC2)cc1
InChIInChI=1S/C14H21NO3.C2H6/c1-12-2-4-14(5-3-12)18-11-13(16)10-15-6-8-17-9-7-15;1-2/h2-5,13,16H,6-11H2,1H3;1-2H3
InChIKeyIWRWFMNAZNZSHY-UHFFFAOYSA-N
XLogP2.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 86928518
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol (CID 144771734) is ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol is CC.Cc1ccc(OCC(O)CN2CCOCC2)cc1.
What is the InChIKey of ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is IWRWFMNAZNZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.C2H6/c1-12-2-4-14(5-3-12)18-11-13(16)10-15-6-8-17-9-7-15;1-2/h2-5,13,16H,6-11H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol?
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 144771734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).