6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one

C14H16O4 — CID 6710162

IUPAC6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(O)c2ccccc2)O1
InChIInChI=1S/C14H16O4/c1-14(2)17-11(9-13(16)18-14)8-12(15)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3
InChIKeyFMAQRTJXTXWTHB-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.30
Rot. Bonds3

About 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one

6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 6710162) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID6710162
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(O)c2ccccc2)O1
InChIInChI=1S/C14H16O4/c1-14(2)17-11(9-13(16)18-14)8-12(15)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3
InChIKeyFMAQRTJXTXWTHB-UHFFFAOYSA-N
XLogP2.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one with MolForge

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Related Compounds

6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 102218337
4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-phenylbutanal
CID 14559544
6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 10978671
6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 15062403
6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one
CID 101353722
5-benzyl-6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 102462147
2,2-dimethyl-6-[(2S)-2-methylbut-3-enyl]-1,3-dioxin-4-one
CID 134966591
6-[(2R,3S)-2-hydroxy-3-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11402205
6-(3-azido-2-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 19096634
6-[(2S)-2-hydroxy-4-oxohex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 24864800
6-but-3-enyl-2,2-dimethyl-1,3-dioxin-4-one
CID 11506561
2,2-dimethyl-6-[(2R)-1-phenylbutan-2-yl]-1,3-dioxin-4-one
CID 11780245

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one (CID 6710162) is 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CC(O)c2ccccc2)O1.
What is the InChIKey of 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is FMAQRTJXTXWTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-14(2)17-11(9-13(16)18-14)8-12(15)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3.
What are the key properties of 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 248.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 6710162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).