5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid

C9H9FO3 — CID 142521933

IUPAC5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid
SMILESCc1c(F)cc(C(=O)O)c(O)c1C
InChIInChI=1S/C9H9FO3/c1-4-5(2)8(11)6(9(12)13)3-7(4)10/h3,11H,1-2H3,(H,12,13)
InChIKeyPTIYSJOOXWUCGQ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.85
Rot. Bonds1

About 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid

5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid (PubChem CID 142521933) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid
PubChem CID142521933
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid
SMILESCc1c(F)cc(C(=O)O)c(O)c1C
InChIInChI=1S/C9H9FO3/c1-4-5(2)8(11)6(9(12)13)3-7(4)10/h3,11H,1-2H3,(H,12,13)
InChIKeyPTIYSJOOXWUCGQ-UHFFFAOYSA-N
XLogP1.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trifluoro-3-methylbenzoic acid
CID 11805514
2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid
CID 22223346
3-chloro-2,5-difluoro-4-methylbenzoic acid
CID 170274339
5-formyl-2-hydroxy-3,4-dimethylbenzoic acid
CID 87724241
5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
CID 19691011
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
3-amino-4,5-difluoro-2-hydroxybenzoic acid
CID 83817838
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
2,3-difluoro-4-hydroxy-5-methylbenzoic acid
CID 141463270
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84775698

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid?
The IUPAC name of 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid (CID 142521933) is 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid.
What is the SMILES notation for 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid?
The canonical SMILES for 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid is Cc1c(F)cc(C(=O)O)c(O)c1C.
What is the InChIKey of 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid?
The InChIKey is PTIYSJOOXWUCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-4-5(2)8(11)6(9(12)13)3-7(4)10/h3,11H,1-2H3,(H,12,13).
What are the key properties of 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid?
5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid is sourced from PubChem (CID 142521933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).