1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

C15H23Cl2NO3 — CID 2873712

IUPAC1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCc1cc(OCC(O)CN2CCOCC2)cc(C)c1Cl.Cl
InChIInChI=1S/C15H22ClNO3.ClH/c1-11-7-14(8-12(2)15(11)16)20-10-13(18)9-17-3-5-19-6-4-17;/h7-8,13,18H,3-6,9-10H2,1-2H3;1H
InChIKeyQNXGMFYBEKJGMR-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.45
Rot. Bonds5

About 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (PubChem CID 2873712) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
PubChem CID2873712
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC Name1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCc1cc(OCC(O)CN2CCOCC2)cc(C)c1Cl.Cl
InChIInChI=1S/C15H22ClNO3.ClH/c1-11-7-14(8-12(2)15(11)16)20-10-13(18)9-17-3-5-19-6-4-17;/h7-8,13,18H,3-6,9-10H2,1-2H3;1H
InChIKeyQNXGMFYBEKJGMR-UHFFFAOYSA-N
XLogP2.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (CID 2873712) is 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is Cc1cc(OCC(O)CN2CCOCC2)cc(C)c1Cl.Cl.
What is the InChIKey of 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The InChIKey is QNXGMFYBEKJGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3.ClH/c1-11-7-14(8-12(2)15(11)16)20-10-13(18)9-17-3-5-19-6-4-17;/h7-8,13,18H,3-6,9-10H2,1-2H3;1H.
What are the key properties of 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride has a molecular weight of 336.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2873712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).