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

C12H18ClNO2 — CID 117227044

IUPAC3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride
SMILESCC1(C)CNC(c2cccc(O)c2)OC1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-12(2)7-13-11(15-8-12)9-4-3-5-10(14)6-9;/h3-6,11,13-14H,7-8H2,1-2H3;1H
InChIKeyZMXDCEUJZPSAMD-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.46
Rot. Bonds1

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

3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride (PubChem CID 117227044) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride
PubChem CID117227044
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride
SMILESCC1(C)CNC(c2cccc(O)c2)OC1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-12(2)7-13-11(15-8-12)9-4-3-5-10(14)6-9;/h3-6,11,13-14H,7-8H2,1-2H3;1H
InChIKeyZMXDCEUJZPSAMD-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride?
The IUPAC name of 3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride (CID 117227044) is 3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride.
What is the SMILES notation for 3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride?
The canonical SMILES for 3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride is CC1(C)CNC(c2cccc(O)c2)OC1.Cl.
What is the InChIKey of 3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride?
The InChIKey is ZMXDCEUJZPSAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-12(2)7-13-11(15-8-12)9-4-3-5-10(14)6-9;/h3-6,11,13-14H,7-8H2,1-2H3;1H.
What are the key properties of 3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride?
3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride is sourced from PubChem (CID 117227044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).