5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid

C9H9FO4 — CID 19691011

IUPAC5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
SMILESCOc1c(C(=O)O)cc(F)c(O)c1C
InChIInChI=1S/C9H9FO4/c1-4-7(11)6(10)3-5(9(12)13)8(4)14-2/h3,11H,1-2H3,(H,12,13)
InChIKeyOUNIIFFRALXJFE-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.55
Rot. Bonds2

About 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid

5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid (PubChem CID 19691011) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
PubChem CID19691011
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
SMILESCOc1c(C(=O)O)cc(F)c(O)c1C
InChIInChI=1S/C9H9FO4/c1-4-7(11)6(10)3-5(9(12)13)8(4)14-2/h3,11H,1-2H3,(H,12,13)
InChIKeyOUNIIFFRALXJFE-UHFFFAOYSA-N
XLogP1.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid?
The IUPAC name of 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid (CID 19691011) is 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid?
The canonical SMILES for 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid is COc1c(C(=O)O)cc(F)c(O)c1C.
What is the InChIKey of 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid?
The InChIKey is OUNIIFFRALXJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c1-4-7(11)6(10)3-5(9(12)13)8(4)14-2/h3,11H,1-2H3,(H,12,13).
What are the key properties of 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid?
5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid has a molecular weight of 200.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid is sourced from PubChem (CID 19691011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).