methyl 4-fluoro-3-methoxybenzoate

C9H9FO3 — CID 592847

IUPACmethyl 4-fluoro-3-methoxybenzoate
SMILESCOC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C9H9FO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
InChIKeyBKTVDAXZKFVQPF-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.62
Rot. Bonds2

About methyl 4-fluoro-3-methoxybenzoate

methyl 4-fluoro-3-methoxybenzoate (PubChem CID 592847) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 4-fluoro-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-methoxybenzoate
PubChem CID592847
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Namemethyl 4-fluoro-3-methoxybenzoate
SMILESCOC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C9H9FO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
InChIKeyBKTVDAXZKFVQPF-UHFFFAOYSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-methoxybenzoate?
The IUPAC name of methyl 4-fluoro-3-methoxybenzoate (CID 592847) is methyl 4-fluoro-3-methoxybenzoate.
What is the SMILES notation for methyl 4-fluoro-3-methoxybenzoate?
The canonical SMILES for methyl 4-fluoro-3-methoxybenzoate is COC(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of methyl 4-fluoro-3-methoxybenzoate?
The InChIKey is BKTVDAXZKFVQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3.
What are the key properties of methyl 4-fluoro-3-methoxybenzoate?
methyl 4-fluoro-3-methoxybenzoate has a molecular weight of 184.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-methoxybenzoate is sourced from PubChem (CID 592847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).