2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid

C11H13FO4 — CID 107014003

IUPAC2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
SMILESCC(C)(O)COc1cccc(F)c1C(=O)O
InChIInChI=1S/C11H13FO4/c1-11(2,15)6-16-8-5-3-4-7(12)9(8)10(13)14/h3-5,15H,6H2,1-2H3,(H,13,14)
InChIKeyWGIVZECSMCQFRO-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.67
Rot. Bonds4

About 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid

2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid (PubChem CID 107014003) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
PubChem CID107014003
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
SMILESCC(C)(O)COc1cccc(F)c1C(=O)O
InChIInChI=1S/C11H13FO4/c1-11(2,15)6-16-8-5-3-4-7(12)9(8)10(13)14/h3-5,15H,6H2,1-2H3,(H,13,14)
InChIKeyWGIVZECSMCQFRO-UHFFFAOYSA-N
XLogP1.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
2-fluoro-6-(2-methylsulfanylethoxy)benzoic acid
CID 107013890
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CID 21493157
2-fluoro-6-(3-hydroxybutoxy)benzoic acid
CID 107014139
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
2-but-3-enoxy-6-fluorobenzoic acid
CID 79511653
2-[2-(azetidin-1-yl)-2-oxoethoxy]-6-fluorobenzoic acid
CID 107014105
2-[2-(ethylcarbamoylamino)-2-oxoethoxy]-6-fluorobenzoic acid
CID 107014145
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119
2-methyl-6-(2,2,2-trifluoroethoxy)benzoic acid
CID 154815056
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107014148

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid?
The IUPAC name of 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid (CID 107014003) is 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid?
The canonical SMILES for 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid is CC(C)(O)COc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid?
The InChIKey is WGIVZECSMCQFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-11(2,15)6-16-8-5-3-4-7(12)9(8)10(13)14/h3-5,15H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid?
2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid has a molecular weight of 228.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid is sourced from PubChem (CID 107014003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).