3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one

C14H9F3O3 — CID 156769775

IUPAC3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one
SMILESO=c1ccoc(/C=C/c2ccc(C(F)(F)F)cc2)c1O
InChIInChI=1S/C14H9F3O3/c15-14(16,17)10-4-1-9(2-5-10)3-6-12-13(19)11(18)7-8-20-12/h1-8,19H/b6-3+
InChIKeyNONLHSHXAOYNIR-ZZXKWVIFSA-N
MW282.22 g/mol
LogP3.53
Rot. Bonds2

About 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one

3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one (PubChem CID 156769775) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one
PubChem CID156769775
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one
SMILESO=c1ccoc(/C=C/c2ccc(C(F)(F)F)cc2)c1O
InChIInChI=1S/C14H9F3O3/c15-14(16,17)10-4-1-9(2-5-10)3-6-12-13(19)11(18)7-8-20-12/h1-8,19H/b6-3+
InChIKeyNONLHSHXAOYNIR-ZZXKWVIFSA-N
XLogP3.53
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one?
The IUPAC name of 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one (CID 156769775) is 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one is O=c1ccoc(/C=C/c2ccc(C(F)(F)F)cc2)c1O.
What is the InChIKey of 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one?
The InChIKey is NONLHSHXAOYNIR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H9F3O3/c15-14(16,17)10-4-1-9(2-5-10)3-6-12-13(19)11(18)7-8-20-12/h1-8,19H/b6-3+.
What are the key properties of 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one?
3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one has a molecular weight of 282.22 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyran-4-one is sourced from PubChem (CID 156769775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).