2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone

C15H12F2O5 — CID 118400365

IUPAC2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone
SMILESCc1cc(F)c(OCC(=O)c2c(O)cc(O)cc2O)c(F)c1
InChIInChI=1S/C15H12F2O5/c1-7-2-9(16)15(10(17)3-7)22-6-13(21)14-11(19)4-8(18)5-12(14)20/h2-5,18-20H,6H2,1H3
InChIKeyXIOVNWKWQSTHDU-UHFFFAOYSA-N
MW310.25 g/mol
LogP2.65
Rot. Bonds4

About 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone

2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone (PubChem CID 118400365) has the molecular formula C15H12F2O5 and a molecular weight of 310.25 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone
PubChem CID118400365
Molecular FormulaC15H12F2O5
Molecular Weight310.25 g/mol
Exact Mass310.07
IUPAC Name2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone
SMILESCc1cc(F)c(OCC(=O)c2c(O)cc(O)cc2O)c(F)c1
InChIInChI=1S/C15H12F2O5/c1-7-2-9(16)15(10(17)3-7)22-6-13(21)14-11(19)4-8(18)5-12(14)20/h2-5,18-20H,6H2,1H3
InChIKeyXIOVNWKWQSTHDU-UHFFFAOYSA-N
XLogP2.65
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone?
The IUPAC name of 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone (CID 118400365) is 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone?
The canonical SMILES for 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone is Cc1cc(F)c(OCC(=O)c2c(O)cc(O)cc2O)c(F)c1.
What is the InChIKey of 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone?
The InChIKey is XIOVNWKWQSTHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O5/c1-7-2-9(16)15(10(17)3-7)22-6-13(21)14-11(19)4-8(18)5-12(14)20/h2-5,18-20H,6H2,1H3.
What are the key properties of 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone?
2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone has a molecular weight of 310.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone is sourced from PubChem (CID 118400365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).