2,3-difluoro-4-hydroxy-5-methylbenzoic acid

C8H6F2O3 — CID 141463270

IUPAC2,3-difluoro-4-hydroxy-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(F)c(F)c1O
InChIInChI=1S/C8H6F2O3/c1-3-2-4(8(12)13)5(9)6(10)7(3)11/h2,11H,1H3,(H,12,13)
InChIKeyPYGYJQRAHXMUFH-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.68
Rot. Bonds1

About 2,3-difluoro-4-hydroxy-5-methylbenzoic acid

2,3-difluoro-4-hydroxy-5-methylbenzoic acid (PubChem CID 141463270) has the molecular formula C8H6F2O3 and a molecular weight of 188.13 g/mol. Its IUPAC name is 2,3-difluoro-4-hydroxy-5-methylbenzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-hydroxy-5-methylbenzoic acid
PubChem CID141463270
Molecular FormulaC8H6F2O3
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name2,3-difluoro-4-hydroxy-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(F)c(F)c1O
InChIInChI=1S/C8H6F2O3/c1-3-2-4(8(12)13)5(9)6(10)7(3)11/h2,11H,1H3,(H,12,13)
InChIKeyPYGYJQRAHXMUFH-UHFFFAOYSA-N
XLogP1.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid
CID 151763144
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
3-fluoro-2,4,5-trimethylbenzoic acid
CID 21472508
3-bromo-2,4-dihydroxy-5-methylbenzoic acid
CID 84803245
2-(2-fluoro-3,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid
CID 117304895
3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84775698
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985
4-fluoro-5-methylbenzene-1,3-dicarboxylic acid
CID 151692716
2,3,4-trifluoro-6-methylphenol
CID 54304883
2-[4-(6-carboxy-3-hydroxy-2,4-dimethylphenyl)-2,3,5,6-tetramethylphenyl]-4-hydroxy-3,5-dimethylbenzoic acid
CID 150850601
5-chloro-2-fluoro-3-methylbenzoic acid
CID 79002360
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-hydroxy-5-methylbenzoic acid?
The IUPAC name of 2,3-difluoro-4-hydroxy-5-methylbenzoic acid (CID 141463270) is 2,3-difluoro-4-hydroxy-5-methylbenzoic acid.
What is the SMILES notation for 2,3-difluoro-4-hydroxy-5-methylbenzoic acid?
The canonical SMILES for 2,3-difluoro-4-hydroxy-5-methylbenzoic acid is Cc1cc(C(=O)O)c(F)c(F)c1O.
What is the InChIKey of 2,3-difluoro-4-hydroxy-5-methylbenzoic acid?
The InChIKey is PYGYJQRAHXMUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O3/c1-3-2-4(8(12)13)5(9)6(10)7(3)11/h2,11H,1H3,(H,12,13).
What are the key properties of 2,3-difluoro-4-hydroxy-5-methylbenzoic acid?
2,3-difluoro-4-hydroxy-5-methylbenzoic acid has a molecular weight of 188.13 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-hydroxy-5-methylbenzoic acid is sourced from PubChem (CID 141463270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).