3-fluoro-2-(1-phenylethoxy)benzoic acid

C15H13FO3 — CID 55101618

IUPAC3-fluoro-2-(1-phenylethoxy)benzoic acid
SMILESCC(Oc1c(F)cccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H13FO3/c1-10(11-6-3-2-4-7-11)19-14-12(15(17)18)8-5-9-13(14)16/h2-10H,1H3,(H,17,18)
InChIKeyQDCSVHYPAJMOBY-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.66
Rot. Bonds4

About 3-fluoro-2-(1-phenylethoxy)benzoic acid

3-fluoro-2-(1-phenylethoxy)benzoic acid (PubChem CID 55101618) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-fluoro-2-(1-phenylethoxy)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(1-phenylethoxy)benzoic acid
PubChem CID55101618
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name3-fluoro-2-(1-phenylethoxy)benzoic acid
SMILESCC(Oc1c(F)cccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H13FO3/c1-10(11-6-3-2-4-7-11)19-14-12(15(17)18)8-5-9-13(14)16/h2-10H,1H3,(H,17,18)
InChIKeyQDCSVHYPAJMOBY-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 66276514
3-fluoro-2-pentan-2-yloxybenzoic acid
CID 102980945
2-(1-phenylethoxy)-3-(2,4,4-trimethylpentan-2-yl)benzoic acid
CID 154510347
2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid
CID 103487194
2-[1-(diethylamino)-1-oxopropan-2-yl]oxy-3-fluorobenzoic acid
CID 115956001
1-phenylethyl 2,3-difluorobenzoate
CID 62865632
3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 62650459
2-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-3-fluorobenzoic acid
CID 112612134
1-phenylethyl 2-(2-fluorophenyl)-2-oxoacetate
CID 122376658
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114
1-(2-fluorophenyl)-2-(1-phenylethoxy)ethanone
CID 62031430
3-fluoro-2-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 115956076

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-phenylethoxy)benzoic acid?
The IUPAC name of 3-fluoro-2-(1-phenylethoxy)benzoic acid (CID 55101618) is 3-fluoro-2-(1-phenylethoxy)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(1-phenylethoxy)benzoic acid?
The canonical SMILES for 3-fluoro-2-(1-phenylethoxy)benzoic acid is CC(Oc1c(F)cccc1C(=O)O)c1ccccc1.
What is the InChIKey of 3-fluoro-2-(1-phenylethoxy)benzoic acid?
The InChIKey is QDCSVHYPAJMOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10(11-6-3-2-4-7-11)19-14-12(15(17)18)8-5-9-13(14)16/h2-10H,1H3,(H,17,18).
What are the key properties of 3-fluoro-2-(1-phenylethoxy)benzoic acid?
3-fluoro-2-(1-phenylethoxy)benzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-phenylethoxy)benzoic acid is sourced from PubChem (CID 55101618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).