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

C17H17FO2 — CID 63423881

IUPAC5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
SMILESCC(C)Cc1ccc(-c2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C17H17FO2/c1-11(2)9-12-3-5-13(6-4-12)15-8-7-14(18)10-16(15)17(19)20/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyOADBISWTUAJNOS-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.39
Rot. Bonds4

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

5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid (PubChem CID 63423881) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
PubChem CID63423881
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
SMILESCC(C)Cc1ccc(-c2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C17H17FO2/c1-11(2)9-12-3-5-13(6-4-12)15-8-7-14(18)10-16(15)17(19)20/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyOADBISWTUAJNOS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423882
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid
CID 39232563
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzonitrile
CID 166549498
2-(4-ethoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53227867
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
5-[4-(2-methylpropyl)phenyl]-2-(trifluoromethyl)benzoic acid
CID 172652338
5-fluoro-2-(3-propylphenyl)benzoic acid
CID 116545164
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid (CID 63423881) is 5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid is CC(C)Cc1ccc(-c2ccc(F)cc2C(=O)O)cc1.
What is the InChIKey of 5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid?
The InChIKey is OADBISWTUAJNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11(2)9-12-3-5-13(6-4-12)15-8-7-14(18)10-16(15)17(19)20/h3-8,10-11H,9H2,1-2H3,(H,19,20).
What are the key properties of 5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid?
5-fluoro-2-[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 5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid is sourced from PubChem (CID 63423881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).