5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one

C23H21FO2 — CID 158114835

IUPAC5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)Cc1ccc(O)cc1
InChIInChI=1S/C23H21FO2/c24-23-7-2-1-6-22(23)19-12-8-17(9-13-19)4-3-5-21(26)16-18-10-14-20(25)15-11-18/h1-2,6-15,25H,3-5,16H2
InChIKeyFQWIPDUGMFMVEF-UHFFFAOYSA-N
MW348.42 g/mol
LogP5.33
Rot. Bonds7

About 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one

5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one (PubChem CID 158114835) has the molecular formula C23H21FO2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
PubChem CID158114835
Molecular FormulaC23H21FO2
Molecular Weight348.42 g/mol
Exact Mass348.15
IUPAC Name5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)Cc1ccc(O)cc1
InChIInChI=1S/C23H21FO2/c24-23-7-2-1-6-22(23)19-12-8-17(9-13-19)4-3-5-21(26)16-18-10-14-20(25)15-11-18/h1-2,6-15,25H,3-5,16H2
InChIKeyFQWIPDUGMFMVEF-UHFFFAOYSA-N
XLogP5.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one?
The IUPAC name of 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one (CID 158114835) is 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one.
What is the SMILES notation for 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one?
The canonical SMILES for 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one is O=C(CCCc1ccc(-c2ccccc2F)cc1)Cc1ccc(O)cc1.
What is the InChIKey of 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one?
The InChIKey is FQWIPDUGMFMVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FO2/c24-23-7-2-1-6-22(23)19-12-8-17(9-13-19)4-3-5-21(26)16-18-10-14-20(25)15-11-18/h1-2,6-15,25H,3-5,16H2.
What are the key properties of 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one?
5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one has a molecular weight of 348.42 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one is sourced from PubChem (CID 158114835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).