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

C11H16ClNO2 — CID 117228463

IUPAC3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride
SMILESCC1(C)COC(c2cccc(O)c2)N1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(2)7-14-10(12-11)8-4-3-5-9(13)6-8;/h3-6,10,12-13H,7H2,1-2H3;1H
InChIKeyVVHCGUFSWALCPF-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.21
Rot. Bonds1

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

3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride (PubChem CID 117228463) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride
PubChem CID117228463
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride
SMILESCC1(C)COC(c2cccc(O)c2)N1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(2)7-14-10(12-11)8-4-3-5-9(13)6-8;/h3-6,10,12-13H,7H2,1-2H3;1H
InChIKeyVVHCGUFSWALCPF-UHFFFAOYSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride?
The IUPAC name of 3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride (CID 117228463) is 3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride.
What is the SMILES notation for 3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride?
The canonical SMILES for 3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride is CC1(C)COC(c2cccc(O)c2)N1.Cl.
What is the InChIKey of 3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride?
The InChIKey is VVHCGUFSWALCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-11(2)7-14-10(12-11)8-4-3-5-9(13)6-8;/h3-6,10,12-13H,7H2,1-2H3;1H.
What are the key properties of 3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride?
3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride is sourced from PubChem (CID 117228463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).