3-fluoro-4-(4-hydroxyphenoxy)benzoic acid

C13H9FO4 — CID 165360541

IUPAC3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(O)cc2)c(F)c1
InChIInChI=1S/C13H9FO4/c14-11-7-8(13(16)17)1-6-12(11)18-10-4-2-9(15)3-5-10/h1-7,15H,(H,16,17)
InChIKeyUJBURTDYTRQWPW-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.02
Rot. Bonds3

About 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid

3-fluoro-4-(4-hydroxyphenoxy)benzoic acid (PubChem CID 165360541) has the molecular formula C13H9FO4 and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
PubChem CID165360541
Molecular FormulaC13H9FO4
Molecular Weight248.21 g/mol
Exact Mass248.05
IUPAC Name3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(O)cc2)c(F)c1
InChIInChI=1S/C13H9FO4/c14-11-7-8(13(16)17)1-6-12(11)18-10-4-2-9(15)3-5-10/h1-7,15H,(H,16,17)
InChIKeyUJBURTDYTRQWPW-UHFFFAOYSA-N
XLogP3.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
3-fluoro-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenoxy]benzoic acid
CID 146305965
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
CID 104629499
3-fluoro-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzoic acid
CID 160556906
4-(1,3-benzodioxol-5-yloxy)-3-fluorobenzoic acid
CID 28604714
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 146306005
3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
CID 146305959

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid?
The IUPAC name of 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid (CID 165360541) is 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid?
The canonical SMILES for 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid is O=C(O)c1ccc(Oc2ccc(O)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid?
The InChIKey is UJBURTDYTRQWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO4/c14-11-7-8(13(16)17)1-6-12(11)18-10-4-2-9(15)3-5-10/h1-7,15H,(H,16,17).
What are the key properties of 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid?
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid has a molecular weight of 248.21 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-hydroxyphenoxy)benzoic acid is sourced from PubChem (CID 165360541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).