2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid

C16H13FO4 — CID 3065894

IUPAC2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid
SMILESCC(C(=O)O)c1cc(C(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C16H13FO4/c1-9(16(20)21)13-8-11(4-7-14(13)18)15(19)10-2-5-12(17)6-3-10/h2-9,18H,1H3,(H,20,21)
InChIKeyOGAVHGJFZVDKLN-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.95
Rot. Bonds4

About 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid

2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid (PubChem CID 3065894) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid
PubChem CID3065894
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Name2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid
SMILESCC(C(=O)O)c1cc(C(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C16H13FO4/c1-9(16(20)21)13-8-11(4-7-14(13)18)15(19)10-2-5-12(17)6-3-10/h2-9,18H,1H3,(H,20,21)
InChIKeyOGAVHGJFZVDKLN-UHFFFAOYSA-N
XLogP2.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid?
The IUPAC name of 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid (CID 3065894) is 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid?
The canonical SMILES for 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid is CC(C(=O)O)c1cc(C(=O)c2ccc(F)cc2)ccc1O.
What is the InChIKey of 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid?
The InChIKey is OGAVHGJFZVDKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4/c1-9(16(20)21)13-8-11(4-7-14(13)18)15(19)10-2-5-12(17)6-3-10/h2-9,18H,1H3,(H,20,21).
What are the key properties of 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid?
2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid has a molecular weight of 288.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 3065894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).