5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid

C15H13FO4 — CID 63679246

IUPAC5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
SMILESO=C(O)c1cc(F)ccc1COc1ccccc1CO
InChIInChI=1S/C15H13FO4/c16-12-6-5-11(13(7-12)15(18)19)9-20-14-4-2-1-3-10(14)8-17/h1-7,17H,8-9H2,(H,18,19)
InChIKeyPOCMCIFUISBFLK-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.60
Rot. Bonds5

About 5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid

5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid (PubChem CID 63679246) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
PubChem CID63679246
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
SMILESO=C(O)c1cc(F)ccc1COc1ccccc1CO
InChIInChI=1S/C15H13FO4/c16-12-6-5-11(13(7-12)15(18)19)9-20-14-4-2-1-3-10(14)8-17/h1-7,17H,8-9H2,(H,18,19)
InChIKeyPOCMCIFUISBFLK-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907385
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014311
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
CID 117221103
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid (CID 63679246) is 5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid is O=C(O)c1cc(F)ccc1COc1ccccc1CO.
What is the InChIKey of 5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid?
The InChIKey is POCMCIFUISBFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c16-12-6-5-11(13(7-12)15(18)19)9-20-14-4-2-1-3-10(14)8-17/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of 5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid?
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid has a molecular weight of 276.26 g/mol, XLogP of 2.60, 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-(hydroxymethyl)phenoxy]methyl]benzoic acid is sourced from PubChem (CID 63679246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).