5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid

C14H10O8 — CID 57113507

IUPAC5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1OC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C14H10O8/c15-6-1-2-11(8(3-6)13(19)20)22-14(21)12-9(17)4-7(16)5-10(12)18/h1-5,15-18H,(H,19,20)
InChIKeyHOZVHOMVHLQPEE-UHFFFAOYSA-N
MW306.23 g/mol
LogP1.43
Rot. Bonds3

About 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid

5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid (PubChem CID 57113507) has the molecular formula C14H10O8 and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid
PubChem CID57113507
Molecular FormulaC14H10O8
Molecular Weight306.23 g/mol
Exact Mass306.04
IUPAC Name5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1OC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C14H10O8/c15-6-1-2-11(8(3-6)13(19)20)22-14(21)12-9(17)4-7(16)5-10(12)18/h1-5,15-18H,(H,19,20)
InChIKeyHOZVHOMVHLQPEE-UHFFFAOYSA-N
XLogP1.43
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363
2-hydroperoxy-5-hydroxybenzoic acid
CID 19099205
3-(3,7-dihydroxynaphthalene-2-carbonyl)oxy-7-hydroxynaphthalene-2-carboxylic acid
CID 123164548
2,4-dihydroxybenzoic acid
CID 1491
3-[4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-6-hydroxy-2-methylbenzoic acid
CID 162888567
(2,4-dihydroxyphenyl) 2-hydroxybenzoate
CID 69048208
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
4-(4-carboxybenzoyl)oxybenzene-1,3-dicarboxylic acid
CID 70551484
5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid
CID 91383282
2,5-dihydroxybenzoic acid;methanol
CID 174970806
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
3-(2-hydroxynaphthalene-1-carbonyl)oxynaphthalene-2-carboxylic acid
CID 57176431

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid?
The IUPAC name of 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid (CID 57113507) is 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid.
What is the SMILES notation for 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid?
The canonical SMILES for 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid is O=C(O)c1cc(O)ccc1OC(=O)c1c(O)cc(O)cc1O.
What is the InChIKey of 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid?
The InChIKey is HOZVHOMVHLQPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O8/c15-6-1-2-11(8(3-6)13(19)20)22-14(21)12-9(17)4-7(16)5-10(12)18/h1-5,15-18H,(H,19,20).
What are the key properties of 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid?
5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid has a molecular weight of 306.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid is sourced from PubChem (CID 57113507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).