5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid

C15H13FO4 — CID 115298042

IUPAC5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OCC(O)c1ccccc1
InChIInChI=1S/C15H13FO4/c16-11-6-7-14(12(8-11)15(18)19)20-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9H2,(H,18,19)
InChIKeyUPELHRKQHIZDCT-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.64
Rot. Bonds5

About 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid

5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid (PubChem CID 115298042) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
PubChem CID115298042
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OCC(O)c1ccccc1
InChIInChI=1S/C15H13FO4/c16-11-6-7-14(12(8-11)15(18)19)20-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9H2,(H,18,19)
InChIKeyUPELHRKQHIZDCT-UHFFFAOYSA-N
XLogP2.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
CID 82843214
3-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107689805
3-bromo-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 63050259
2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107675226
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
5-fluoro-2-[2-(4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 115297843
2-(2-ethylphenoxy)-1-phenylethanol
CID 60731173
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol
CID 107686254
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid?
The IUPAC name of 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid (CID 115298042) is 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid?
The canonical SMILES for 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid is O=C(O)c1cc(F)ccc1OCC(O)c1ccccc1.
What is the InChIKey of 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid?
The InChIKey is UPELHRKQHIZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c16-11-6-7-14(12(8-11)15(18)19)20-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9H2,(H,18,19).
What are the key properties of 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid?
5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid has a molecular weight of 276.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid is sourced from PubChem (CID 115298042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).