2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone

C21H15F3O2 — CID 157242548

IUPAC2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone
SMILESCc1ccc(-c2cccc(F)c2)cc1C(=O)Cc1c(F)ccc(O)c1F
InChIInChI=1S/C21H15F3O2/c1-12-5-6-14(13-3-2-4-15(22)9-13)10-16(12)20(26)11-17-18(23)7-8-19(25)21(17)24/h2-10,25H,11H2,1H3
InChIKeyAVJKGUKAWOLZIG-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.21
Rot. Bonds4

About 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone

2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone (PubChem CID 157242548) has the molecular formula C21H15F3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone
PubChem CID157242548
Molecular FormulaC21H15F3O2
Molecular Weight356.34 g/mol
Exact Mass356.10
IUPAC Name2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone
SMILESCc1ccc(-c2cccc(F)c2)cc1C(=O)Cc1c(F)ccc(O)c1F
InChIInChI=1S/C21H15F3O2/c1-12-5-6-14(13-3-2-4-15(22)9-13)10-16(12)20(26)11-17-18(23)7-8-19(25)21(17)24/h2-10,25H,11H2,1H3
InChIKeyAVJKGUKAWOLZIG-UHFFFAOYSA-N
XLogP5.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone?
The IUPAC name of 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone (CID 157242548) is 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone.
What is the SMILES notation for 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone?
The canonical SMILES for 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone is Cc1ccc(-c2cccc(F)c2)cc1C(=O)Cc1c(F)ccc(O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone?
The InChIKey is AVJKGUKAWOLZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O2/c1-12-5-6-14(13-3-2-4-15(22)9-13)10-16(12)20(26)11-17-18(23)7-8-19(25)21(17)24/h2-10,25H,11H2,1H3.
What are the key properties of 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone?
2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone has a molecular weight of 356.34 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone is sourced from PubChem (CID 157242548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).