methyl 5-fluoro-2-(hydroxymethyl)benzoate

C9H9FO3 — CID 99769873

IUPACmethyl 5-fluoro-2-(hydroxymethyl)benzoate
SMILESCOC(=O)c1cc(F)ccc1CO
InChIInChI=1S/C9H9FO3/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4,11H,5H2,1H3
InChIKeyHGGOYFKTPIPIST-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.10
Rot. Bonds2

About methyl 5-fluoro-2-(hydroxymethyl)benzoate

methyl 5-fluoro-2-(hydroxymethyl)benzoate (PubChem CID 99769873) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 5-fluoro-2-(hydroxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-(hydroxymethyl)benzoate
PubChem CID99769873
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Namemethyl 5-fluoro-2-(hydroxymethyl)benzoate
SMILESCOC(=O)c1cc(F)ccc1CO
InChIInChI=1S/C9H9FO3/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4,11H,5H2,1H3
InChIKeyHGGOYFKTPIPIST-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-(hydroxymethyl)benzoate?
The IUPAC name of methyl 5-fluoro-2-(hydroxymethyl)benzoate (CID 99769873) is methyl 5-fluoro-2-(hydroxymethyl)benzoate.
What is the SMILES notation for methyl 5-fluoro-2-(hydroxymethyl)benzoate?
The canonical SMILES for methyl 5-fluoro-2-(hydroxymethyl)benzoate is COC(=O)c1cc(F)ccc1CO.
What is the InChIKey of methyl 5-fluoro-2-(hydroxymethyl)benzoate?
The InChIKey is HGGOYFKTPIPIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4,11H,5H2,1H3.
What are the key properties of methyl 5-fluoro-2-(hydroxymethyl)benzoate?
methyl 5-fluoro-2-(hydroxymethyl)benzoate has a molecular weight of 184.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-(hydroxymethyl)benzoate is sourced from PubChem (CID 99769873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).