3-[4-(2-fluorophenoxy)phenyl]butanoic acid

C16H15FO3 — CID 82306805

IUPAC3-[4-(2-fluorophenoxy)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C16H15FO3/c1-11(10-16(18)19)12-6-8-13(9-7-12)20-15-5-3-2-4-14(15)17/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyJFMAQRHEZKGTBX-UHFFFAOYSA-N
MW274.29 g/mol
LogP4.20
Rot. Bonds5

About 3-[4-(2-fluorophenoxy)phenyl]butanoic acid

3-[4-(2-fluorophenoxy)phenyl]butanoic acid (PubChem CID 82306805) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-[4-(2-fluorophenoxy)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-(2-fluorophenoxy)phenyl]butanoic acid
PubChem CID82306805
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-[4-(2-fluorophenoxy)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C16H15FO3/c1-11(10-16(18)19)12-6-8-13(9-7-12)20-15-5-3-2-4-14(15)17/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyJFMAQRHEZKGTBX-UHFFFAOYSA-N
XLogP4.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
3-[4-fluoro-3-(2-methoxyphenyl)phenyl]butanoic acid
CID 82543204
3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid
CID 82543265
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine
CID 113247632
3-amino-3-[4-(2-methoxyphenoxy)phenyl]propanoic acid
CID 135367552
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
3-[4-[2-(2-fluorophenoxy)ethoxy]phenyl]hex-4-ynoic acid
CID 58031763
3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid
CID 82543264
3-(4-phenoxyphenyl)pentanedioic acid
CID 170564926

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenoxy)phenyl]butanoic acid?
The IUPAC name of 3-[4-(2-fluorophenoxy)phenyl]butanoic acid (CID 82306805) is 3-[4-(2-fluorophenoxy)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-(2-fluorophenoxy)phenyl]butanoic acid?
The canonical SMILES for 3-[4-(2-fluorophenoxy)phenyl]butanoic acid is CC(CC(=O)O)c1ccc(Oc2ccccc2F)cc1.
What is the InChIKey of 3-[4-(2-fluorophenoxy)phenyl]butanoic acid?
The InChIKey is JFMAQRHEZKGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11(10-16(18)19)12-6-8-13(9-7-12)20-15-5-3-2-4-14(15)17/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 3-[4-(2-fluorophenoxy)phenyl]butanoic acid?
3-[4-(2-fluorophenoxy)phenyl]butanoic acid has a molecular weight of 274.29 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenoxy)phenyl]butanoic acid is sourced from PubChem (CID 82306805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).