4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol

C11H15NO2 — CID 82111994

IUPAC4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol
SMILESCC1(C)COC(c2ccc(O)cc2)N1
InChIInChI=1S/C11H15NO2/c1-11(2)7-14-10(12-11)8-3-5-9(13)6-4-8/h3-6,10,12-13H,7H2,1-2H3
InChIKeyJUFCFHIWEKEIEM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.79
Rot. Bonds1

About 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol

4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol (PubChem CID 82111994) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol.

Molecular Properties

Compound Name4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol
PubChem CID82111994
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol
SMILESCC1(C)COC(c2ccc(O)cc2)N1
InChIInChI=1S/C11H15NO2/c1-11(2)7-14-10(12-11)8-3-5-9(13)6-4-8/h3-6,10,12-13H,7H2,1-2H3
InChIKeyJUFCFHIWEKEIEM-UHFFFAOYSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride
CID 117228463
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine
CID 82116569
4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride
CID 117228480
2-(2-ethoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82114526
[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol
CID 101166026
2-(2-methoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82112973
2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine
CID 117228170
2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117228171
4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
CID 10688797
[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
CID 23437091
6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one
CID 101376441
(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine
CID 10539775

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol?
The IUPAC name of 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol (CID 82111994) is 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol.
What is the SMILES notation for 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol?
The canonical SMILES for 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol is CC1(C)COC(c2ccc(O)cc2)N1.
What is the InChIKey of 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol?
The InChIKey is JUFCFHIWEKEIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2)7-14-10(12-11)8-3-5-9(13)6-4-8/h3-6,10,12-13H,7H2,1-2H3.
What are the key properties of 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol?
4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol has a molecular weight of 193.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol is sourced from PubChem (CID 82111994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).