4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one

C13H11F3O3 — CID 53382859

IUPAC4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H11F3O3/c1-18-10-6-11(19-12(17)7-10)8-2-4-9(5-3-8)13(14,15)16/h2-5,7,11H,6H2,1H3
InChIKeyVORFHOJQSNBNIE-UHFFFAOYSA-N
MW272.22 g/mol
LogP3.22
Rot. Bonds2

About 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one

4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one (PubChem CID 53382859) has the molecular formula C13H11F3O3 and a molecular weight of 272.22 g/mol. Its IUPAC name is 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one
PubChem CID53382859
Molecular FormulaC13H11F3O3
Molecular Weight272.22 g/mol
Exact Mass272.07
IUPAC Name4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H11F3O3/c1-18-10-6-11(19-12(17)7-10)8-2-4-9(5-3-8)13(14,15)16/h2-5,7,11H,6H2,1H3
InChIKeyVORFHOJQSNBNIE-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10220256
1-Phenylethyl Acetate
CID 62341
Marindinin
CID 98356
Benzenemethanol, 4-methyl-, 1-acetate
CID 75187
1-Phenylpropyl acetate
CID 101134
Benzenemethanol, alpha-ethenyl-, 1-acetate
CID 111277
4-Methoxy-5-[(Z)-methoxy[(2S,3R)-3-phenyloxiranyl]methylene]-2(5H)-furanone
CID 23955894
6-phenyl-5,6-dihydro-2H-pyran-2-one
CID 11105852
Diphenylmethyl acetate
CID 274281
Benzenemethanol, alpha,4-dimethyl-, 1-acetate
CID 89214
3,3,5-Trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl pivalate
CID 545421
2-(4-Methylphenyl)-2,3-dihydropyran-6-one
CID 53483992

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one?
The IUPAC name of 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one (CID 53382859) is 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one is COC1=CC(=O)OC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one?
The InChIKey is VORFHOJQSNBNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O3/c1-18-10-6-11(19-12(17)7-10)8-2-4-9(5-3-8)13(14,15)16/h2-5,7,11H,6H2,1H3.
What are the key properties of 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one?
4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one has a molecular weight of 272.22 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 53382859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).