3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol

C12H17NO3 — CID 123215844

IUPAC3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol
SMILESCC1(C)ON(c2cccc(O)c2)OC1(C)C
InChIInChI=1S/C12H17NO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8,14H,1-4H3
InChIKeyHQLQWDRSXYWNFC-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.63
Rot. Bonds1

About 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol

3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol (PubChem CID 123215844) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol
PubChem CID123215844
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol
SMILESCC1(C)ON(c2cccc(O)c2)OC1(C)C
InChIInChI=1S/C12H17NO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8,14H,1-4H3
InChIKeyHQLQWDRSXYWNFC-UHFFFAOYSA-N
XLogP2.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(5-propan-2-ylpyrazol-1-yl)phenol
CID 84776764
bis(benzene-1,3-diol);methane
CID 70633400
bis(benzene-1,3-diol);hydrate
CID 174320343
benzene-1,3-diol;tris(yttrium)
CID 23386139
benzene-1,3-diol;bis(rutherfordium)
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3-(5-bromopyrazol-1-yl)phenol
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Frequently Asked Questions

What is the IUPAC name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol?
The IUPAC name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol (CID 123215844) is 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol.
What is the SMILES notation for 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol?
The canonical SMILES for 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol is CC1(C)ON(c2cccc(O)c2)OC1(C)C.
What is the InChIKey of 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol?
The InChIKey is HQLQWDRSXYWNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8,14H,1-4H3.
What are the key properties of 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol?
3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol has a molecular weight of 223.27 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenol is sourced from PubChem (CID 123215844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).