methyl 3-fluoro-5-hydroxybenzoate

C8H7FO3 — CID 46311142

IUPACmethyl 3-fluoro-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)cc(F)c1
InChIInChI=1S/C8H7FO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3
InChIKeyDIIVOKPOASIMNV-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.32
Rot. Bonds1

About methyl 3-fluoro-5-hydroxybenzoate

methyl 3-fluoro-5-hydroxybenzoate (PubChem CID 46311142) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is methyl 3-fluoro-5-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-hydroxybenzoate
PubChem CID46311142
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Namemethyl 3-fluoro-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)cc(F)c1
InChIInChI=1S/C8H7FO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3
InChIKeyDIIVOKPOASIMNV-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-hydroxybenzoate?
The IUPAC name of methyl 3-fluoro-5-hydroxybenzoate (CID 46311142) is methyl 3-fluoro-5-hydroxybenzoate.
What is the SMILES notation for methyl 3-fluoro-5-hydroxybenzoate?
The canonical SMILES for methyl 3-fluoro-5-hydroxybenzoate is COC(=O)c1cc(O)cc(F)c1.
What is the InChIKey of methyl 3-fluoro-5-hydroxybenzoate?
The InChIKey is DIIVOKPOASIMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3.
What are the key properties of methyl 3-fluoro-5-hydroxybenzoate?
methyl 3-fluoro-5-hydroxybenzoate has a molecular weight of 170.14 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-hydroxybenzoate is sourced from PubChem (CID 46311142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).