3-(4,6,6-trimethylmorpholin-2-yl)phenol

C13H19NO2 — CID 70527048

IUPAC3-(4,6,6-trimethylmorpholin-2-yl)phenol
SMILESCN1CC(c2cccc(O)c2)OC(C)(C)C1
InChIInChI=1S/C13H19NO2/c1-13(2)9-14(3)8-12(16-13)10-5-4-6-11(15)7-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyDOMFTABCOOQFIZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.17
Rot. Bonds1

About 3-(4,6,6-trimethylmorpholin-2-yl)phenol

3-(4,6,6-trimethylmorpholin-2-yl)phenol (PubChem CID 70527048) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(4,6,6-trimethylmorpholin-2-yl)phenol.

Molecular Properties

Compound Name3-(4,6,6-trimethylmorpholin-2-yl)phenol
PubChem CID70527048
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(4,6,6-trimethylmorpholin-2-yl)phenol
SMILESCN1CC(c2cccc(O)c2)OC(C)(C)C1
InChIInChI=1S/C13H19NO2/c1-13(2)9-14(3)8-12(16-13)10-5-4-6-11(15)7-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyDOMFTABCOOQFIZ-UHFFFAOYSA-N
XLogP2.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6,6-trimethylmorpholin-2-yl)phenol?
The IUPAC name of 3-(4,6,6-trimethylmorpholin-2-yl)phenol (CID 70527048) is 3-(4,6,6-trimethylmorpholin-2-yl)phenol.
What is the SMILES notation for 3-(4,6,6-trimethylmorpholin-2-yl)phenol?
The canonical SMILES for 3-(4,6,6-trimethylmorpholin-2-yl)phenol is CN1CC(c2cccc(O)c2)OC(C)(C)C1.
What is the InChIKey of 3-(4,6,6-trimethylmorpholin-2-yl)phenol?
The InChIKey is DOMFTABCOOQFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)9-14(3)8-12(16-13)10-5-4-6-11(15)7-10/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 3-(4,6,6-trimethylmorpholin-2-yl)phenol?
3-(4,6,6-trimethylmorpholin-2-yl)phenol has a molecular weight of 221.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6,6-trimethylmorpholin-2-yl)phenol is sourced from PubChem (CID 70527048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).