6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one

C15H18O4 — CID 101353722

IUPAC6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one
SMILESCC1=C(C[C@@H](O)c2ccccc2)OC(C)(C)OC1=O
InChIInChI=1S/C15H18O4/c1-10-13(18-15(2,3)19-14(10)17)9-12(16)11-7-5-4-6-8-11/h4-8,12,16H,9H2,1-3H3/t12-/m1/s1
InChIKeyUCAFJGHEWGGVAM-GFCCVEGCSA-N
MW262.31 g/mol
LogP2.69
Rot. Bonds3

About 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one

6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one (PubChem CID 101353722) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one
PubChem CID101353722
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one
SMILESCC1=C(C[C@@H](O)c2ccccc2)OC(C)(C)OC1=O
InChIInChI=1S/C15H18O4/c1-10-13(18-15(2,3)19-14(10)17)9-12(16)11-7-5-4-6-8-11/h4-8,12,16H,9H2,1-3H3/t12-/m1/s1
InChIKeyUCAFJGHEWGGVAM-GFCCVEGCSA-N
XLogP2.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one with MolForge

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Related Compounds

5-benzyl-6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 102462147
6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 6710162
5-[hydroxy(phenyl)methyl]-2,2,6-trimethyl-1,3-dioxin-4-one
CID 15535898
6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 102218337
(1R)-1,2-diphenylethanol
CID 1379022
6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one
CID 19918947
5-[[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537250
6-[(R)-[(2S,4S,5R,6S)-6-[(E,2S,5R,6S,11S)-11-hydroxy-5,6-dimethoxy-11-phenylundec-3-en-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-methoxymethyl]-2,2,5-trimethyl-1,3-dioxin-4-one
CID 164675207
3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide
CID 11199637
2,2-dimethyl-5-[(1-phenylpropylamino)methylidene]-1,3-dioxane-4,6-dione
CID 43911587
2-dimethylphosphanyl-1-phenylethanol
CID 101386744
(3S,4R)-4-[(2R)-2-hydroxy-2-phenylethyl]-3-methyl-3-prop-2-enyloxetan-2-one
CID 102163320

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one (CID 101353722) is 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one is CC1=C(C[C@@H](O)c2ccccc2)OC(C)(C)OC1=O.
What is the InChIKey of 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one?
The InChIKey is UCAFJGHEWGGVAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18O4/c1-10-13(18-15(2,3)19-14(10)17)9-12(16)11-7-5-4-6-8-11/h4-8,12,16H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one?
6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one has a molecular weight of 262.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 101353722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).