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

C15H12O5 — CID 21083111

IUPAC2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid
SMILESCc1c(O)ccc(C(=O)c2ccccc2C(=O)O)c1O
InChIInChI=1S/C15H12O5/c1-8-12(16)7-6-11(13(8)17)14(18)9-4-2-3-5-10(9)15(19)20/h2-7,16-17H,1H3,(H,19,20)
InChIKeyHPEQQAHCOROTGI-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.34
Rot. Bonds3

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

2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid (PubChem CID 21083111) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid
PubChem CID21083111
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid
SMILESCc1c(O)ccc(C(=O)c2ccccc2C(=O)O)c1O
InChIInChI=1S/C15H12O5/c1-8-12(16)7-6-11(13(8)17)14(18)9-4-2-3-5-10(9)15(19)20/h2-7,16-17H,1H3,(H,19,20)
InChIKeyHPEQQAHCOROTGI-UHFFFAOYSA-N
XLogP2.34
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-carboxy-2,3-dimethylbenzoyl)benzoyl]-2,3-dimethylbenzoic acid
CID 141342382
2-(5-fluoro-2,4-dihydroxy-3-methylbenzoyl)benzoic acid
CID 22223346
benzene-1,2-diol;phthalic acid
CID 160861167
2-(3-chloro-2-hydroxybenzoyl)benzoic acid
CID 15932724
3,4-dihydroxy-2-methylbenzoic acid
CID 10442073
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
CID 655619
phthalic acid;toluene
CID 174855044
2-[2-hydroxy-3-(4-methylanilino)benzoyl]benzoic acid
CID 54528500
2-[2-hydroxy-4-(4-methylanilino)benzoyl]benzoic acid
CID 21406390
hydron;phthalic acid
CID 67386665

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid?
The IUPAC name of 2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid (CID 21083111) is 2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid.
What is the SMILES notation for 2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid?
The canonical SMILES for 2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid is Cc1c(O)ccc(C(=O)c2ccccc2C(=O)O)c1O.
What is the InChIKey of 2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid?
The InChIKey is HPEQQAHCOROTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-8-12(16)7-6-11(13(8)17)14(18)9-4-2-3-5-10(9)15(19)20/h2-7,16-17H,1H3,(H,19,20).
What are the key properties of 2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid?
2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid is sourced from PubChem (CID 21083111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).