5-fluoro-2-(3-propylphenyl)benzoic acid

C16H15FO2 — CID 116545164

IUPAC5-fluoro-2-(3-propylphenyl)benzoic acid
SMILESCCCc1cccc(-c2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C16H15FO2/c1-2-4-11-5-3-6-12(9-11)14-8-7-13(17)10-15(14)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)
InChIKeyIPDFLIFLDUZTNN-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.14
Rot. Bonds4

About 5-fluoro-2-(3-propylphenyl)benzoic acid

5-fluoro-2-(3-propylphenyl)benzoic acid (PubChem CID 116545164) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 5-fluoro-2-(3-propylphenyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(3-propylphenyl)benzoic acid
PubChem CID116545164
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name5-fluoro-2-(3-propylphenyl)benzoic acid
SMILESCCCc1cccc(-c2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C16H15FO2/c1-2-4-11-5-3-6-12(9-11)14-8-7-13(17)10-15(14)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)
InChIKeyIPDFLIFLDUZTNN-UHFFFAOYSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-(3-propylphenyl)benzoic acid
CID 114560373
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
5-(2,4-difluorophenyl)-2-propylbenzoic acid
CID 130399404
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423881
1-phenyl-3-propylbenzene
CID 4110465
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
4-propyl-6-(3-propylphenyl)benzene-1,3-diol
CID 71009376
2-(4-ethoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53227867
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid
CID 39232563

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-propylphenyl)benzoic acid?
The IUPAC name of 5-fluoro-2-(3-propylphenyl)benzoic acid (CID 116545164) is 5-fluoro-2-(3-propylphenyl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(3-propylphenyl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(3-propylphenyl)benzoic acid is CCCc1cccc(-c2ccc(F)cc2C(=O)O)c1.
What is the InChIKey of 5-fluoro-2-(3-propylphenyl)benzoic acid?
The InChIKey is IPDFLIFLDUZTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-2-4-11-5-3-6-12(9-11)14-8-7-13(17)10-15(14)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-2-(3-propylphenyl)benzoic acid?
5-fluoro-2-(3-propylphenyl)benzoic acid has a molecular weight of 258.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-propylphenyl)benzoic acid is sourced from PubChem (CID 116545164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).