2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride

C12H18ClNO2 — CID 171192630

IUPAC2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
SMILESCc1cc([C@@H]2COCCN2)cc(C)c1O.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-8-5-10(6-9(2)12(8)14)11-7-15-4-3-13-11;/h5-6,11,13-14H,3-4,7H2,1-2H3;1H/t11-;/m0./s1
InChIKeyXXMZUFYPWDCOMP-MERQFXBCSA-N
MW243.73 g/mol
LogP2.09
Rot. Bonds1

About 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride

2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride (PubChem CID 171192630) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
PubChem CID171192630
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
SMILESCc1cc([C@@H]2COCCN2)cc(C)c1O.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-8-5-10(6-9(2)12(8)14)11-7-15-4-3-13-11;/h5-6,11,13-14H,3-4,7H2,1-2H3;1H/t11-;/m0./s1
InChIKeyXXMZUFYPWDCOMP-MERQFXBCSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193448
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
CID 171192618
3-(3-fluoro-5-methylphenyl)morpholine
CID 55268590
(3R)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171192647
(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171193179
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
3-fluoro-5-morpholin-3-ylphenol
CID 55271718
2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409
3-(3,5-difluorophenyl)morpholine
CID 55271784

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride?
The IUPAC name of 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride (CID 171192630) is 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride?
The canonical SMILES for 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride is Cc1cc([C@@H]2COCCN2)cc(C)c1O.Cl.
What is the InChIKey of 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride?
The InChIKey is XXMZUFYPWDCOMP-MERQFXBCSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-8-5-10(6-9(2)12(8)14)11-7-15-4-3-13-11;/h5-6,11,13-14H,3-4,7H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride?
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride is sourced from PubChem (CID 171192630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).