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

C15H13FO4 — CID 104629499

IUPAC3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(CCO)cc2)c(F)c1
InChIInChI=1S/C15H13FO4/c16-13-9-11(15(18)19)3-6-14(13)20-12-4-1-10(2-5-12)7-8-17/h1-6,9,17H,7-8H2,(H,18,19)
InChIKeySAZLGGCDKLGRGA-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.85
Rot. Bonds5

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

3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid (PubChem CID 104629499) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
PubChem CID104629499
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(CCO)cc2)c(F)c1
InChIInChI=1S/C15H13FO4/c16-13-9-11(15(18)19)3-6-14(13)20-12-4-1-10(2-5-12)7-8-17/h1-6,9,17H,7-8H2,(H,18,19)
InChIKeySAZLGGCDKLGRGA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
3-fluoro-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenoxy]benzoic acid
CID 146305965
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone
CID 158011620
3-fluoro-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzoic acid
CID 160556906
4-(2-hydroxyethyl)benzoic acid
CID 506062
3-fluoro-4-(4-hexylphenoxy)benzamide
CID 142415242
4-(1,3-benzodioxol-5-yloxy)-3-fluorobenzoic acid
CID 28604714
3-fluoro-4-[[1-[(4-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]oxy]benzoic acid
CID 10671452
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
CID 107708690

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid?
The IUPAC name of 3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid (CID 104629499) is 3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid?
The canonical SMILES for 3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid is O=C(O)c1ccc(Oc2ccc(CCO)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid?
The InChIKey is SAZLGGCDKLGRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c16-13-9-11(15(18)19)3-6-14(13)20-12-4-1-10(2-5-12)7-8-17/h1-6,9,17H,7-8H2,(H,18,19).
What are the key properties of 3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid?
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid has a molecular weight of 276.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid is sourced from PubChem (CID 104629499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).