2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one

C28H23FO2 — CID 132850439

IUPAC2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(F)C(O)(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23FO2/c1-20-12-14-23(15-13-20)26(30)27(29)28(31,24-10-6-3-7-11-24)25-18-16-22(17-19-25)21-8-4-2-5-9-21/h2-19,27,31H,1H3
InChIKeyDKWOWMQECJIPPL-UHFFFAOYSA-N
MW410.49 g/mol
LogP6.12
Rot. Bonds6

About 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one

2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one (PubChem CID 132850439) has the molecular formula C28H23FO2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one
PubChem CID132850439
Molecular FormulaC28H23FO2
Molecular Weight410.49 g/mol
Exact Mass410.17
IUPAC Name2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(F)C(O)(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23FO2/c1-20-12-14-23(15-13-20)26(30)27(29)28(31,24-10-6-3-7-11-24)25-18-16-22(17-19-25)21-8-4-2-5-9-21/h2-19,27,31H,1H3
InChIKeyDKWOWMQECJIPPL-UHFFFAOYSA-N
XLogP6.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one (CID 132850439) is 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one is Cc1ccc(C(=O)C(F)C(O)(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one?
The InChIKey is DKWOWMQECJIPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FO2/c1-20-12-14-23(15-13-20)26(30)27(29)28(31,24-10-6-3-7-11-24)25-18-16-22(17-19-25)21-8-4-2-5-9-21/h2-19,27,31H,1H3.
What are the key properties of 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one?
2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one has a molecular weight of 410.49 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-1-(4-methylphenyl)-3-phenyl-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 132850439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).