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

C22H17FO3 — CID 170873795

IUPAC2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid
SMILESCc1ccc(C(C(=O)O)c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H17FO3/c1-14-2-4-15(5-3-14)20(22(25)26)16-6-8-17(9-7-16)21(24)18-10-12-19(23)13-11-18/h2-13,20H,1H3,(H,25,26)
InChIKeyMWWSIWUJJVKWRE-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.58
Rot. Bonds5

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

2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid (PubChem CID 170873795) has the molecular formula C22H17FO3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid
PubChem CID170873795
Molecular FormulaC22H17FO3
Molecular Weight348.37 g/mol
Exact Mass348.12
IUPAC Name2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid
SMILESCc1ccc(C(C(=O)O)c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H17FO3/c1-14-2-4-15(5-3-14)20(22(25)26)16-6-8-17(9-7-16)21(24)18-10-12-19(23)13-11-18/h2-13,20H,1H3,(H,25,26)
InChIKeyMWWSIWUJJVKWRE-UHFFFAOYSA-N
XLogP4.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
CID 2713488
(4-fluorophenyl)-phenylmethanone
CID 161464622
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid
CID 23092036
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 111115069
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
CID 82023855
[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone
CID 95049071
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid (CID 170873795) is 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid is Cc1ccc(C(C(=O)O)c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid?
The InChIKey is MWWSIWUJJVKWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO3/c1-14-2-4-15(5-3-14)20(22(25)26)16-6-8-17(9-7-16)21(24)18-10-12-19(23)13-11-18/h2-13,20H,1H3,(H,25,26).
What are the key properties of 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid?
2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid has a molecular weight of 348.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 170873795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).