6-fluoro-2-methoxy-3-methylbenzoic acid

C9H9FO3 — CID 84659421

IUPAC6-fluoro-2-methoxy-3-methylbenzoic acid
SMILESCOc1c(C)ccc(F)c1C(=O)O
InChIInChI=1S/C9H9FO3/c1-5-3-4-6(10)7(9(11)12)8(5)13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyOQQBMUBHZRGQAW-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.84
Rot. Bonds2

About 6-fluoro-2-methoxy-3-methylbenzoic acid

6-fluoro-2-methoxy-3-methylbenzoic acid (PubChem CID 84659421) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 6-fluoro-2-methoxy-3-methylbenzoic acid.

Molecular Properties

Compound Name6-fluoro-2-methoxy-3-methylbenzoic acid
PubChem CID84659421
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name6-fluoro-2-methoxy-3-methylbenzoic acid
SMILESCOc1c(C)ccc(F)c1C(=O)O
InChIInChI=1S/C9H9FO3/c1-5-3-4-6(10)7(9(11)12)8(5)13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyOQQBMUBHZRGQAW-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

1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid
CID 84681562
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
6-amino-4-fluoro-2,3-dimethoxybenzoic acid
CID 84783720
2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
CID 171019420
5-(6-fluoro-2-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414677
4-borono-3,6-difluoro-2-methoxybenzoic acid;1,4-difluoro-2-methoxybenzene;3,6-difluoro-2-methoxybenzoic acid
CID 158868801

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methoxy-3-methylbenzoic acid?
The IUPAC name of 6-fluoro-2-methoxy-3-methylbenzoic acid (CID 84659421) is 6-fluoro-2-methoxy-3-methylbenzoic acid.
What is the SMILES notation for 6-fluoro-2-methoxy-3-methylbenzoic acid?
The canonical SMILES for 6-fluoro-2-methoxy-3-methylbenzoic acid is COc1c(C)ccc(F)c1C(=O)O.
What is the InChIKey of 6-fluoro-2-methoxy-3-methylbenzoic acid?
The InChIKey is OQQBMUBHZRGQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-5-3-4-6(10)7(9(11)12)8(5)13-2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 6-fluoro-2-methoxy-3-methylbenzoic acid?
6-fluoro-2-methoxy-3-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 6-fluoro-2-methoxy-3-methylbenzoic acid is sourced from PubChem (CID 84659421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).