4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one

C13H17NO3 — CID 69426851

IUPAC4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one
SMILESCC1(C)COC(=O)C(C)(c2ccccc2)N1O
InChIInChI=1S/C13H17NO3/c1-12(2)9-17-11(15)13(3,14(12)16)10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3
InChIKeyNBCPPLPEULFZIV-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.93
Rot. Bonds1

About 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one

4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one (PubChem CID 69426851) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one.

Molecular Properties

Compound Name4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one
PubChem CID69426851
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one
SMILESCC1(C)COC(=O)C(C)(c2ccccc2)N1O
InChIInChI=1S/C13H17NO3/c1-12(2)9-17-11(15)13(3,14(12)16)10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3
InChIKeyNBCPPLPEULFZIV-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-methyl-2-phenyloxirane
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(1S,5S)-6,6-dimethyl-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 131856201
2-methyl-2,4-diphenyl-1-azabicyclo[2.2.2]octan-3-one
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1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one?
The IUPAC name of 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one (CID 69426851) is 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one.
What is the SMILES notation for 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one?
The canonical SMILES for 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one is CC1(C)COC(=O)C(C)(c2ccccc2)N1O.
What is the InChIKey of 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one?
The InChIKey is NBCPPLPEULFZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-12(2)9-17-11(15)13(3,14(12)16)10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3.
What are the key properties of 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one?
4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one is sourced from PubChem (CID 69426851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).