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

C14H22ClNO3 — CID 16807168

IUPAC1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCc1cccc(OCC(O)CN2CCOCC2)c1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-12-3-2-4-14(9-12)18-11-13(16)10-15-5-7-17-8-6-15;/h2-4,9,13,16H,5-8,10-11H2,1H3;1H
InChIKeyHJUKUTGGQCOSOM-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.49
Rot. Bonds5

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

1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (PubChem CID 16807168) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
PubChem CID16807168
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCc1cccc(OCC(O)CN2CCOCC2)c1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-12-3-2-4-14(9-12)18-11-13(16)10-15-5-7-17-8-6-15;/h2-4,9,13,16H,5-8,10-11H2,1H3;1H
InChIKeyHJUKUTGGQCOSOM-UHFFFAOYSA-N
XLogP1.49
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (CID 16807168) is 1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is Cc1cccc(OCC(O)CN2CCOCC2)c1.Cl.
What is the InChIKey of 1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The InChIKey is HJUKUTGGQCOSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-12-3-2-4-14(9-12)18-11-13(16)10-15-5-7-17-8-6-15;/h2-4,9,13,16H,5-8,10-11H2,1H3;1H.
What are the key properties of 1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 16807168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).