1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone

C27H20F2O2 — CID 70179785

IUPAC1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(O)C(=O)c2cccc(-c3ccc(F)cc3)c2-c2cccc(F)c2)cc1
InChIInChI=1S/C27H20F2O2/c1-17-8-10-19(11-9-17)26(30)27(31)24-7-3-6-23(18-12-14-21(28)15-13-18)25(24)20-4-2-5-22(29)16-20/h2-16,26,30H,1H3
InChIKeyQGARIILLABXVRP-UHFFFAOYSA-N
MW414.45 g/mol
LogP6.52
Rot. Bonds5

About 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone

1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone (PubChem CID 70179785) has the molecular formula C27H20F2O2 and a molecular weight of 414.45 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone
PubChem CID70179785
Molecular FormulaC27H20F2O2
Molecular Weight414.45 g/mol
Exact Mass414.14
IUPAC Name1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(O)C(=O)c2cccc(-c3ccc(F)cc3)c2-c2cccc(F)c2)cc1
InChIInChI=1S/C27H20F2O2/c1-17-8-10-19(11-9-17)26(30)27(31)24-7-3-6-23(18-12-14-21(28)15-13-18)25(24)20-4-2-5-22(29)16-20/h2-16,26,30H,1H3
InChIKeyQGARIILLABXVRP-UHFFFAOYSA-N
XLogP6.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.45
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone (CID 70179785) is 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone is Cc1ccc(C(O)C(=O)c2cccc(-c3ccc(F)cc3)c2-c2cccc(F)c2)cc1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone?
The InChIKey is QGARIILLABXVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2O2/c1-17-8-10-19(11-9-17)26(30)27(31)24-7-3-6-23(18-12-14-21(28)15-13-18)25(24)20-4-2-5-22(29)16-20/h2-16,26,30H,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone?
1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone has a molecular weight of 414.45 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-3-(4-fluorophenyl)phenyl]-2-hydroxy-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 70179785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).