(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol

C15H23NO3 — CID 692870

IUPAC(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
SMILESCc1ccc(OC[C@@H](O)CN2CCOCC2)cc1C
InChIInChI=1S/C15H23NO3/c1-12-3-4-15(9-13(12)2)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyUZIVXTQGFKHZDO-AWEZNQCLSA-N
MW265.35 g/mol
LogP1.38
Rot. Bonds5

About (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol

(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol (PubChem CID 692870) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
PubChem CID692870
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
SMILESCc1ccc(OC[C@@H](O)CN2CCOCC2)cc1C
InChIInChI=1S/C15H23NO3/c1-12-3-4-15(9-13(12)2)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyUZIVXTQGFKHZDO-AWEZNQCLSA-N
XLogP1.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882798
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
1-(3,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882985
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
ethyl 4-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 885375
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 30630017
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol (CID 692870) is (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol is Cc1ccc(OC[C@@H](O)CN2CCOCC2)cc1C.
What is the InChIKey of (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is UZIVXTQGFKHZDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-3-4-15(9-13(12)2)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol?
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 692870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).