3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol

C12H17NO2 — CID 117227041

IUPAC3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol
SMILESCC1CNC(C)(c2cccc(O)c2)OC1
InChIInChI=1S/C12H17NO2/c1-9-7-13-12(2,15-8-9)10-4-3-5-11(14)6-10/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeySWHWHXPCPLSBKI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.82
Rot. Bonds1

About 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol

3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol (PubChem CID 117227041) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol.

Molecular Properties

Compound Name3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol
PubChem CID117227041
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol
SMILESCC1CNC(C)(c2cccc(O)c2)OC1
InChIInChI=1S/C12H17NO2/c1-9-7-13-12(2,15-8-9)10-4-3-5-11(14)6-10/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeySWHWHXPCPLSBKI-UHFFFAOYSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol?
The IUPAC name of 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol (CID 117227041) is 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol.
What is the SMILES notation for 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol?
The canonical SMILES for 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol is CC1CNC(C)(c2cccc(O)c2)OC1.
What is the InChIKey of 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol?
The InChIKey is SWHWHXPCPLSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-7-13-12(2,15-8-9)10-4-3-5-11(14)6-10/h3-6,9,13-14H,7-8H2,1-2H3.
What are the key properties of 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol?
3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol has a molecular weight of 207.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol is sourced from PubChem (CID 117227041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).