6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one

C14H12F2O4 — CID 145480651

IUPAC6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one
SMILESO=c1cc(C(F)F)oc(CO)c1OCc1ccccc1
InChIInChI=1S/C14H12F2O4/c15-14(16)11-6-10(18)13(12(7-17)20-11)19-8-9-4-2-1-3-5-9/h1-6,14,17H,7-8H2
InChIKeyUXTCMJWWAOFEMH-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.65
Rot. Bonds5

About 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one

6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one (PubChem CID 145480651) has the molecular formula C14H12F2O4 and a molecular weight of 282.24 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one
PubChem CID145480651
Molecular FormulaC14H12F2O4
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one
SMILESO=c1cc(C(F)F)oc(CO)c1OCc1ccccc1
InChIInChI=1S/C14H12F2O4/c15-14(16)11-6-10(18)13(12(7-17)20-11)19-8-9-4-2-1-3-5-9/h1-6,14,17H,7-8H2
InChIKeyUXTCMJWWAOFEMH-UHFFFAOYSA-N
XLogP2.65
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(hydroxymethyl)-3-phenylmethoxypyran-4-one
CID 18428308
CID 87151849
CID 87151849
chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead
CID 143480829
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
CID 12011187
2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484702
1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
CID 156776485
7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139718369
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid
CID 157337433
2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one
CID 123634967

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one?
The IUPAC name of 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one (CID 145480651) is 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one.
What is the SMILES notation for 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one?
The canonical SMILES for 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one is O=c1cc(C(F)F)oc(CO)c1OCc1ccccc1.
What is the InChIKey of 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one?
The InChIKey is UXTCMJWWAOFEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O4/c15-14(16)11-6-10(18)13(12(7-17)20-11)19-8-9-4-2-1-3-5-9/h1-6,14,17H,7-8H2.
What are the key properties of 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one?
6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one has a molecular weight of 282.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one is sourced from PubChem (CID 145480651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).