methyl 2-fluorooxy-6-hydroxybenzoate

C8H7FO4 — CID 163376786

IUPACmethyl 2-fluorooxy-6-hydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1OF
InChIInChI=1S/C8H7FO4/c1-12-8(11)7-5(10)3-2-4-6(7)13-9/h2-4,10H,1H3
InChIKeyOXJPBRUYPAOGTJ-UHFFFAOYSA-N
MW186.14 g/mol
LogP1.44
Rot. Bonds2

About methyl 2-fluorooxy-6-hydroxybenzoate

methyl 2-fluorooxy-6-hydroxybenzoate (PubChem CID 163376786) has the molecular formula C8H7FO4 and a molecular weight of 186.14 g/mol. Its IUPAC name is methyl 2-fluorooxy-6-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-fluorooxy-6-hydroxybenzoate
PubChem CID163376786
Molecular FormulaC8H7FO4
Molecular Weight186.14 g/mol
Exact Mass186.03
IUPAC Namemethyl 2-fluorooxy-6-hydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1OF
InChIInChI=1S/C8H7FO4/c1-12-8(11)7-5(10)3-2-4-6(7)13-9/h2-4,10H,1H3
InChIKeyOXJPBRUYPAOGTJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate
CID 141342760
methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate
CID 66746226
methyl 2-iodo-6-methoxybenzoate
CID 91882308
6-(3-hydroxy-2-methoxycarbonylphenoxy)-2-methylidene-6-oxohexanoic acid
CID 91103361
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
methyl 2-hydroxy-6-(2-oxoethyl)benzoate
CID 134973194
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
methyl 2-(difluoromethoxy)-6-fluorobenzoate
CID 59487507
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate
CID 10733286
methyl 2-formyl-6-methoxybenzoate
CID 12730360
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluorooxy-6-hydroxybenzoate?
The IUPAC name of methyl 2-fluorooxy-6-hydroxybenzoate (CID 163376786) is methyl 2-fluorooxy-6-hydroxybenzoate.
What is the SMILES notation for methyl 2-fluorooxy-6-hydroxybenzoate?
The canonical SMILES for methyl 2-fluorooxy-6-hydroxybenzoate is COC(=O)c1c(O)cccc1OF.
What is the InChIKey of methyl 2-fluorooxy-6-hydroxybenzoate?
The InChIKey is OXJPBRUYPAOGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO4/c1-12-8(11)7-5(10)3-2-4-6(7)13-9/h2-4,10H,1H3.
What are the key properties of methyl 2-fluorooxy-6-hydroxybenzoate?
methyl 2-fluorooxy-6-hydroxybenzoate has a molecular weight of 186.14 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluorooxy-6-hydroxybenzoate is sourced from PubChem (CID 163376786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).