2-[4-(3-fluorobenzoyl)phenyl]acetic acid

C15H11FO3 — CID 82120891

IUPAC2-[4-(3-fluorobenzoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H11FO3/c16-13-3-1-2-12(9-13)15(19)11-6-4-10(5-7-11)8-14(17)18/h1-7,9H,8H2,(H,17,18)
InChIKeyNDABHNVLWOSATE-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.68
Rot. Bonds4

About 2-[4-(3-fluorobenzoyl)phenyl]acetic acid

2-[4-(3-fluorobenzoyl)phenyl]acetic acid (PubChem CID 82120891) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-[4-(3-fluorobenzoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluorobenzoyl)phenyl]acetic acid
PubChem CID82120891
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name2-[4-(3-fluorobenzoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H11FO3/c16-13-3-1-2-12(9-13)15(19)11-6-4-10(5-7-11)8-14(17)18/h1-7,9H,8H2,(H,17,18)
InChIKeyNDABHNVLWOSATE-UHFFFAOYSA-N
XLogP2.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
2-[4-[(3-fluorobenzoyl)carbamothioylamino]phenyl]acetic acid
CID 28687153
N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
CID 174893416
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
3-fluorobenzoyl bromide
CID 20822510
(3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone
CID 11325317
(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone
CID 66635454

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorobenzoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(3-fluorobenzoyl)phenyl]acetic acid (CID 82120891) is 2-[4-(3-fluorobenzoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluorobenzoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3-fluorobenzoyl)phenyl]acetic acid is O=C(O)Cc1ccc(C(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-(3-fluorobenzoyl)phenyl]acetic acid?
The InChIKey is NDABHNVLWOSATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-13-3-1-2-12(9-13)15(19)11-6-4-10(5-7-11)8-14(17)18/h1-7,9H,8H2,(H,17,18).
What are the key properties of 2-[4-(3-fluorobenzoyl)phenyl]acetic acid?
2-[4-(3-fluorobenzoyl)phenyl]acetic acid has a molecular weight of 258.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorobenzoyl)phenyl]acetic acid is sourced from PubChem (CID 82120891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).