4-fluoro-2-(methoxymethyl)benzoic acid

C9H9FO3 — CID 91235487

IUPAC4-fluoro-2-(methoxymethyl)benzoic acid
SMILESCOCc1cc(F)ccc1C(=O)O
InChIInChI=1S/C9H9FO3/c1-13-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyZMVXBPUPEZQLEF-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.67
Rot. Bonds3

About 4-fluoro-2-(methoxymethyl)benzoic acid

4-fluoro-2-(methoxymethyl)benzoic acid (PubChem CID 91235487) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 4-fluoro-2-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(methoxymethyl)benzoic acid
PubChem CID91235487
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name4-fluoro-2-(methoxymethyl)benzoic acid
SMILESCOCc1cc(F)ccc1C(=O)O
InChIInChI=1S/C9H9FO3/c1-13-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyZMVXBPUPEZQLEF-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
2-ethyl-4-fluorobenzoic acid
CID 22101376
4-fluoro-2-(methoxymethyl)benzenecarbothioamide
CID 64765248
4-fluoro-2-(phenylmethoxymethyl)benzoic acid
CID 107908401
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
2-[(dimethylamino)methyl]-4-fluorobenzoic acid
CID 107907408
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 107907739
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 104637832
4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 104637795
2-(but-3-ynoxymethyl)-4-fluorobenzoic acid
CID 107908800
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methoxymethyl)benzoic acid?
The IUPAC name of 4-fluoro-2-(methoxymethyl)benzoic acid (CID 91235487) is 4-fluoro-2-(methoxymethyl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(methoxymethyl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(methoxymethyl)benzoic acid is COCc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-(methoxymethyl)benzoic acid?
The InChIKey is ZMVXBPUPEZQLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-13-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 4-fluoro-2-(methoxymethyl)benzoic acid?
4-fluoro-2-(methoxymethyl)benzoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methoxymethyl)benzoic acid is sourced from PubChem (CID 91235487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).