3-(4-fluorophenyl)-5-propylbenzoic acid

C16H15FO2 — CID 69063865

IUPAC3-(4-fluorophenyl)-5-propylbenzoic acid
SMILESCCCc1cc(C(=O)O)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO2/c1-2-3-11-8-13(10-14(9-11)16(18)19)12-4-6-15(17)7-5-12/h4-10H,2-3H2,1H3,(H,18,19)
InChIKeyMPSJDRVYADHTDY-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.14
Rot. Bonds4

About 3-(4-fluorophenyl)-5-propylbenzoic acid

3-(4-fluorophenyl)-5-propylbenzoic acid (PubChem CID 69063865) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-propylbenzoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-propylbenzoic acid
PubChem CID69063865
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name3-(4-fluorophenyl)-5-propylbenzoic acid
SMILESCCCc1cc(C(=O)O)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO2/c1-2-3-11-8-13(10-14(9-11)16(18)19)12-4-6-15(17)7-5-12/h4-10H,2-3H2,1H3,(H,18,19)
InChIKeyMPSJDRVYADHTDY-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-propylbenzoic acid?
The IUPAC name of 3-(4-fluorophenyl)-5-propylbenzoic acid (CID 69063865) is 3-(4-fluorophenyl)-5-propylbenzoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-5-propylbenzoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-5-propylbenzoic acid is CCCc1cc(C(=O)O)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-propylbenzoic acid?
The InChIKey is MPSJDRVYADHTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-2-3-11-8-13(10-14(9-11)16(18)19)12-4-6-15(17)7-5-12/h4-10H,2-3H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-5-propylbenzoic acid?
3-(4-fluorophenyl)-5-propylbenzoic 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 3-(4-fluorophenyl)-5-propylbenzoic acid is sourced from PubChem (CID 69063865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).