2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone

C23H20F2O2 — CID 148569513

IUPAC2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)Cc2c(F)ccc(O)c2C)c1C
InChIInChI=1S/C23H20F2O2/c1-13-9-17(16-5-4-6-18(24)10-16)11-20(14(13)2)23(27)12-19-15(3)22(26)8-7-21(19)25/h4-11,26H,12H2,1-3H3
InChIKeyMWPJDHTWKQGCJM-UHFFFAOYSA-N
MW366.41 g/mol
LogP5.69
Rot. Bonds4

About 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone

2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone (PubChem CID 148569513) has the molecular formula C23H20F2O2 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone.

Molecular Properties

Compound Name2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone
PubChem CID148569513
Molecular FormulaC23H20F2O2
Molecular Weight366.41 g/mol
Exact Mass366.14
IUPAC Name2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)Cc2c(F)ccc(O)c2C)c1C
InChIInChI=1S/C23H20F2O2/c1-13-9-17(16-5-4-6-18(24)10-16)11-20(14(13)2)23(27)12-19-15(3)22(26)8-7-21(19)25/h4-11,26H,12H2,1-3H3
InChIKeyMWPJDHTWKQGCJM-UHFFFAOYSA-N
XLogP5.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.41
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone?
The IUPAC name of 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone (CID 148569513) is 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone.
What is the SMILES notation for 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone?
The canonical SMILES for 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone is Cc1cc(-c2cccc(F)c2)cc(C(=O)Cc2c(F)ccc(O)c2C)c1C.
What is the InChIKey of 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone?
The InChIKey is MWPJDHTWKQGCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2O2/c1-13-9-17(16-5-4-6-18(24)10-16)11-20(14(13)2)23(27)12-19-15(3)22(26)8-7-21(19)25/h4-11,26H,12H2,1-3H3.
What are the key properties of 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone?
2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone has a molecular weight of 366.41 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone is sourced from PubChem (CID 148569513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).