2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid

C15H11FO5 — CID 22223346

IUPAC2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid
SMILESCc1c(O)c(F)cc(C(=O)c2ccccc2C(=O)O)c1O
InChIInChI=1S/C15H11FO5/c1-7-12(17)10(6-11(16)13(7)18)14(19)8-4-2-3-5-9(8)15(20)21/h2-6,17-18H,1H3,(H,20,21)
InChIKeyRMYFNAPDASEJRK-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.47
Rot. Bonds3

About 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid

2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid (PubChem CID 22223346) has the molecular formula C15H11FO5 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid
PubChem CID22223346
Molecular FormulaC15H11FO5
Molecular Weight290.25 g/mol
Exact Mass290.06
IUPAC Name2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid
SMILESCc1c(O)c(F)cc(C(=O)c2ccccc2C(=O)O)c1O
InChIInChI=1S/C15H11FO5/c1-7-12(17)10(6-11(16)13(7)18)14(19)8-4-2-3-5-9(8)15(20)21/h2-6,17-18H,1H3,(H,20,21)
InChIKeyRMYFNAPDASEJRK-UHFFFAOYSA-N
XLogP2.47
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid
CID 21083111
5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid
CID 142521933
4-[2-(4-carboxy-2,3-dimethylbenzoyl)benzoyl]-2,3-dimethylbenzoic acid
CID 141342382
5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
CID 19691011
4-(4,5-dicarboxy-2-fluorobenzoyl)-5-fluorophthalic acid
CID 67941508
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
CID 655619
ethane;2-fluorobenzoic acid
CID 91182768
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
phthalic acid;toluene
CID 174855044
2-(3-chloro-2-hydroxybenzoyl)benzoic acid
CID 15932724

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid?
The IUPAC name of 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid (CID 22223346) is 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid.
What is the SMILES notation for 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid?
The canonical SMILES for 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid is Cc1c(O)c(F)cc(C(=O)c2ccccc2C(=O)O)c1O.
What is the InChIKey of 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid?
The InChIKey is RMYFNAPDASEJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO5/c1-7-12(17)10(6-11(16)13(7)18)14(19)8-4-2-3-5-9(8)15(20)21/h2-6,17-18H,1H3,(H,20,21).
What are the key properties of 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid?
2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid has a molecular weight of 290.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid is sourced from PubChem (CID 22223346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).