methyl 6-fluoro-3-hydroxy-2-methylbenzoate

C9H9FO3 — CID 131370787

IUPACmethyl 6-fluoro-3-hydroxy-2-methylbenzoate
SMILESCOC(=O)c1c(F)ccc(O)c1C
InChIInChI=1S/C9H9FO3/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4,11H,1-2H3
InChIKeySJHPUXAULFOLBL-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.63
Rot. Bonds1

About methyl 6-fluoro-3-hydroxy-2-methylbenzoate

methyl 6-fluoro-3-hydroxy-2-methylbenzoate (PubChem CID 131370787) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 6-fluoro-3-hydroxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 6-fluoro-3-hydroxy-2-methylbenzoate
PubChem CID131370787
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Namemethyl 6-fluoro-3-hydroxy-2-methylbenzoate
SMILESCOC(=O)c1c(F)ccc(O)c1C
InChIInChI=1S/C9H9FO3/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4,11H,1-2H3
InChIKeySJHPUXAULFOLBL-UHFFFAOYSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-3-hydroxy-2-methylbenzoate?
The IUPAC name of methyl 6-fluoro-3-hydroxy-2-methylbenzoate (CID 131370787) is methyl 6-fluoro-3-hydroxy-2-methylbenzoate.
What is the SMILES notation for methyl 6-fluoro-3-hydroxy-2-methylbenzoate?
The canonical SMILES for methyl 6-fluoro-3-hydroxy-2-methylbenzoate is COC(=O)c1c(F)ccc(O)c1C.
What is the InChIKey of methyl 6-fluoro-3-hydroxy-2-methylbenzoate?
The InChIKey is SJHPUXAULFOLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4,11H,1-2H3.
What are the key properties of methyl 6-fluoro-3-hydroxy-2-methylbenzoate?
methyl 6-fluoro-3-hydroxy-2-methylbenzoate has a molecular weight of 184.17 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-3-hydroxy-2-methylbenzoate is sourced from PubChem (CID 131370787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).