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

C9H9FO4 — CID 84775698

IUPAC3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid
SMILESCOc1c(C)cc(C(=O)O)c(O)c1F
InChIInChI=1S/C9H9FO4/c1-4-3-5(9(12)13)7(11)6(10)8(4)14-2/h3,11H,1-2H3,(H,12,13)
InChIKeyYYCSWYUDEFFROG-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.55
Rot. Bonds2

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

3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid (PubChem CID 84775698) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid
PubChem CID84775698
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid
SMILESCOc1c(C)cc(C(=O)O)c(O)c1F
InChIInChI=1S/C9H9FO4/c1-4-3-5(9(12)13)7(11)6(10)8(4)14-2/h3,11H,1-2H3,(H,12,13)
InChIKeyYYCSWYUDEFFROG-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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Related Compounds

3-bromo-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84806657
3-amino-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84667419
5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
CID 19691011
2,3-difluoro-4-hydroxy-5-methylbenzoic acid
CID 141463270
3,5-difluoro-2-iodo-4-methoxybenzoic acid
CID 174661023
1,8-dihydroxy-7-methoxy-6-methyl-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 78319267
5-(3,4-difluoro-5-methoxyphenyl)-2-methoxy-3-methylbenzoic acid
CID 69110325
2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid
CID 151763144
3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117328457
3-amino-2-fluoro-5-hydroxy-4-methoxybenzoic acid
CID 84669828
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid?
The IUPAC name of 3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid (CID 84775698) is 3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid.
What is the SMILES notation for 3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid?
The canonical SMILES for 3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid is COc1c(C)cc(C(=O)O)c(O)c1F.
What is the InChIKey of 3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid?
The InChIKey is YYCSWYUDEFFROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c1-4-3-5(9(12)13)7(11)6(10)8(4)14-2/h3,11H,1-2H3,(H,12,13).
What are the key properties of 3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid?
3-fluoro-2-hydroxy-4-methoxy-5-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 3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid is sourced from PubChem (CID 84775698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).