2-[2-(4-fluorophenyl)ethyl]benzoic acid

C15H13FO2 — CID 22015801

IUPAC2-[2-(4-fluorophenyl)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCc1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c16-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)15(17)18/h1-4,6-7,9-10H,5,8H2,(H,17,18)
InChIKeyLXPQTMDOIBWZOC-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.31
Rot. Bonds4

About 2-[2-(4-fluorophenyl)ethyl]benzoic acid

2-[2-(4-fluorophenyl)ethyl]benzoic acid (PubChem CID 22015801) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]benzoic acid
PubChem CID22015801
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name2-[2-(4-fluorophenyl)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCc1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c16-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)15(17)18/h1-4,6-7,9-10H,5,8H2,(H,17,18)
InChIKeyLXPQTMDOIBWZOC-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587
2-[[(4-fluorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 17158189
N'-(4-fluorobenzoyl)-2-(2-phenylethyl)benzohydrazide
CID 55333894
fluorobenzene;2-pentylbenzoic acid
CID 174772828
2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
2-[3-(4-ethylphenyl)propyl]benzoic acid
CID 54190644
2-[3-(4-fluorophenyl)propanoyloxy]benzoic acid
CID 54419547
2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid
CID 19024124
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
2-(3-fluoropropyl)benzoic acid
CID 83856062
N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide
CID 18421684

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]benzoic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]benzoic acid (CID 22015801) is 2-[2-(4-fluorophenyl)ethyl]benzoic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]benzoic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]benzoic acid is O=C(O)c1ccccc1CCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]benzoic acid?
The InChIKey is LXPQTMDOIBWZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c16-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)15(17)18/h1-4,6-7,9-10H,5,8H2,(H,17,18).
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]benzoic acid?
2-[2-(4-fluorophenyl)ethyl]benzoic acid has a molecular weight of 244.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]benzoic acid is sourced from PubChem (CID 22015801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).