3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid

C16H15FO4 — CID 107714150

IUPAC3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2ccccc2CCO)c(F)c1
InChIInChI=1S/C16H15FO4/c17-14-9-12(16(19)20)5-6-13(14)10-21-15-4-2-1-3-11(15)7-8-18/h1-6,9,18H,7-8,10H2,(H,19,20)
InChIKeyGGXFFAIQYWEXIA-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.64
Rot. Bonds6

About 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid

3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid (PubChem CID 107714150) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid
PubChem CID107714150
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2ccccc2CCO)c(F)c1
InChIInChI=1S/C16H15FO4/c17-14-9-12(16(19)20)5-6-13(14)10-21-15-4-2-1-3-11(15)7-8-18/h1-6,9,18H,7-8,10H2,(H,19,20)
InChIKeyGGXFFAIQYWEXIA-UHFFFAOYSA-N
XLogP2.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
4-[(2-bromophenyl)methoxymethyl]-3-fluorobenzoic acid
CID 82825751
3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327
3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide
CID 106484635
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712874
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 114847654
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392
3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
CID 107713832
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 107711662

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid (CID 107714150) is 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid is O=C(O)c1ccc(COc2ccccc2CCO)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid?
The InChIKey is GGXFFAIQYWEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c17-14-9-12(16(19)20)5-6-13(14)10-21-15-4-2-1-3-11(15)7-8-18/h1-6,9,18H,7-8,10H2,(H,19,20).
What are the key properties of 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid?
3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid has a molecular weight of 290.29 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid is sourced from PubChem (CID 107714150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).