2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid

C17H17FO2 — CID 63423882

IUPAC2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid
SMILESCC(C)Cc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1
InChIInChI=1S/C17H17FO2/c1-11(2)9-12-3-5-13(6-4-12)14-7-8-16(18)15(10-14)17(19)20/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyUTQZKJLWTNBLNO-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.39
Rot. Bonds4

About 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid

2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid (PubChem CID 63423882) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid
PubChem CID63423882
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid
SMILESCC(C)Cc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1
InChIInChI=1S/C17H17FO2/c1-11(2)9-12-3-5-13(6-4-12)14-7-8-16(18)15(10-14)17(19)20/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyUTQZKJLWTNBLNO-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-(2-methylpropyl)phenyl]-2-(trifluoromethyl)benzoic acid
CID 172652338
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423881
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
2-fluoro-5-[(propan-2-ylamino)methyl]benzoic acid
CID 117222086
5-(4-cyanophenyl)-2-fluorobenzoic acid
CID 53225083
2-fluoro-5-[1-(4-hydroxyphenyl)propan-2-ylamino]benzoic acid
CID 115494141
3-[4-(2-methylpropyl)phenyl]-5-(trifluoromethyl)benzoic acid
CID 172652344
2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
CID 110453860
5-(chloromethyl)-2-fluorobenzoic acid
CID 112692924
5-(2,2-dimethylpropyl)-2-fluorobenzoic acid
CID 115026901
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-fluorobenzoic acid
CID 62324133
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid (CID 63423882) is 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid is CC(C)Cc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid?
The InChIKey is UTQZKJLWTNBLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11(2)9-12-3-5-13(6-4-12)14-7-8-16(18)15(10-14)17(19)20/h3-8,10-11H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid?
2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid has a molecular weight of 272.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid is sourced from PubChem (CID 63423882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).