4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid

C13H17FO5 — CID 107014327

IUPAC4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
SMILESCC(C)OCC(O)COc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H17FO5/c1-8(2)18-6-10(15)7-19-12-5-9(14)3-4-11(12)13(16)17/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyRUUFEQVGHIFTHX-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.69
Rot. Bonds7

About 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid

4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid (PubChem CID 107014327) has the molecular formula C13H17FO5 and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
PubChem CID107014327
Molecular FormulaC13H17FO5
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
SMILESCC(C)OCC(O)COc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H17FO5/c1-8(2)18-6-10(15)7-19-12-5-9(14)3-4-11(12)13(16)17/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyRUUFEQVGHIFTHX-UHFFFAOYSA-N
XLogP1.69
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 124625807
4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 107014268
4-fluoro-2-(2-methylpentoxy)benzoic acid
CID 107014556
1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
CID 82843214
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone
CID 103158590
1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
CID 63988643
1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988415
1-[5-bromo-2-(2-hydroxy-3-propan-2-yloxypropoxy)phenyl]ethanone
CID 63988848

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid?
The IUPAC name of 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid (CID 107014327) is 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid?
The canonical SMILES for 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid is CC(C)OCC(O)COc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid?
The InChIKey is RUUFEQVGHIFTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO5/c1-8(2)18-6-10(15)7-19-12-5-9(14)3-4-11(12)13(16)17/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid?
4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid has a molecular weight of 272.27 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid is sourced from PubChem (CID 107014327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).