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

C9H9FO3 — CID 84769291

IUPAC5-fluoro-4-methoxy-2-methylbenzoic acid
SMILESCOc1cc(C)c(C(=O)O)cc1F
InChIInChI=1S/C9H9FO3/c1-5-3-8(13-2)7(10)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyOCVUZWUJXGYXIE-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.84
Rot. Bonds2

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

5-fluoro-4-methoxy-2-methylbenzoic acid (PubChem CID 84769291) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-methylbenzoic acid.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-methylbenzoic acid
PubChem CID84769291
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name5-fluoro-4-methoxy-2-methylbenzoic acid
SMILESCOc1cc(C)c(C(=O)O)cc1F
InChIInChI=1S/C9H9FO3/c1-5-3-8(13-2)7(10)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyOCVUZWUJXGYXIE-UHFFFAOYSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-methoxybenzoic acid
CID 117280967
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
4-(difluoromethoxy)-5-fluoro-2-methylbenzoic acid
CID 131290844
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
4-hydroxy-5-methoxy-7-methyl-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
CID 130407749
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
5-fluoro-2,4-dimethoxybenzoic acid;5-fluoro-2,4-dimethoxybenzonitrile
CID 159510028
4-(4-carboxy-2,5-dimethylphenoxy)-2,5-dimethylbenzoic acid
CID 139991122
5-fluoro-2-methoxy-N,N,4-trimethylbenzamide
CID 164883070
4-(bromomethyl)-5-methoxy-2-methylbenzoic acid
CID 91311963
4-cyano-5-fluoro-2-methoxybenzoic acid
CID 131092344
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-methylbenzoic acid?
The IUPAC name of 5-fluoro-4-methoxy-2-methylbenzoic acid (CID 84769291) is 5-fluoro-4-methoxy-2-methylbenzoic acid.
What is the SMILES notation for 5-fluoro-4-methoxy-2-methylbenzoic acid?
The canonical SMILES for 5-fluoro-4-methoxy-2-methylbenzoic acid is COc1cc(C)c(C(=O)O)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-methylbenzoic acid?
The InChIKey is OCVUZWUJXGYXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-5-3-8(13-2)7(10)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-fluoro-4-methoxy-2-methylbenzoic acid?
5-fluoro-4-methoxy-2-methylbenzoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-methylbenzoic acid is sourced from PubChem (CID 84769291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).