7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one

C16H9F3O3 — CID 25211267

IUPAC7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(C(F)(F)F)cc2)coc2cc(O)ccc12
InChIInChI=1S/C16H9F3O3/c17-16(18,19)10-3-1-9(2-4-10)13-8-22-14-7-11(20)5-6-12(14)15(13)21/h1-8,20H
InChIKeyVBDALHUMQALVNG-UHFFFAOYSA-N
MW306.24 g/mol
LogP4.18
Rot. Bonds1

About 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one

7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one (PubChem CID 25211267) has the molecular formula C16H9F3O3 and a molecular weight of 306.24 g/mol. Its IUPAC name is 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
PubChem CID25211267
Molecular FormulaC16H9F3O3
Molecular Weight306.24 g/mol
Exact Mass306.05
IUPAC Name7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(C(F)(F)F)cc2)coc2cc(O)ccc12
InChIInChI=1S/C16H9F3O3/c17-16(18,19)10-3-1-9(2-4-10)13-8-22-14-7-11(20)5-6-12(14)15(13)21/h1-8,20H
InChIKeyVBDALHUMQALVNG-UHFFFAOYSA-N
XLogP4.18
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one?
The IUPAC name of 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one (CID 25211267) is 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one is O=c1c(-c2ccc(C(F)(F)F)cc2)coc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one?
The InChIKey is VBDALHUMQALVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3O3/c17-16(18,19)10-3-1-9(2-4-10)13-8-22-14-7-11(20)5-6-12(14)15(13)21/h1-8,20H.
What are the key properties of 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one?
7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one has a molecular weight of 306.24 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one is sourced from PubChem (CID 25211267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).