4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

C14H19NO4 — CID 4267998

IUPAC4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CC(O)c2ccccc2)C1(C)O
InChIInChI=1S/C14H19NO4/c1-13(2)14(3,18)15(12(17)19-13)9-11(16)10-7-5-4-6-8-10/h4-8,11,16,18H,9H2,1-3H3
InChIKeyPSDAMDOBGLPGCZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.66
Rot. Bonds3

About 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 4267998) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID4267998
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CC(O)c2ccccc2)C1(C)O
InChIInChI=1S/C14H19NO4/c1-13(2)14(3,18)15(12(17)19-13)9-11(16)10-7-5-4-6-8-10/h4-8,11,16,18H,9H2,1-3H3
InChIKeyPSDAMDOBGLPGCZ-UHFFFAOYSA-N
XLogP1.66
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 4267998) is 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(CC(O)c2ccccc2)C1(C)O.
What is the InChIKey of 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is PSDAMDOBGLPGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-13(2)14(3,18)15(12(17)19-13)9-11(16)10-7-5-4-6-8-10/h4-8,11,16,18H,9H2,1-3H3.
What are the key properties of 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4267998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).