3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one

C12H15NO3 — CID 104549227

IUPAC3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1ccc(CCO)cc1
InChIInChI=1S/C12H15NO3/c14-8-6-10-2-4-11(5-3-10)13-7-1-9-16-12(13)15/h2-5,14H,1,6-9H2
InChIKeyGUPUKAXBMYZJHW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.57
Rot. Bonds3

About 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one

3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one (PubChem CID 104549227) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one
PubChem CID104549227
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1ccc(CCO)cc1
InChIInChI=1S/C12H15NO3/c14-8-6-10-2-4-11(5-3-10)13-7-1-9-16-12(13)15/h2-5,14H,1,6-9H2
InChIKeyGUPUKAXBMYZJHW-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one (CID 104549227) is 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one is O=C1OCCCN1c1ccc(CCO)cc1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one?
The InChIKey is GUPUKAXBMYZJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-6-10-2-4-11(5-3-10)13-7-1-9-16-12(13)15/h2-5,14H,1,6-9H2.
What are the key properties of 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one?
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 104549227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).