2-(2-hydroxybenzoyl)oxybenzoic acid

C14H10O5 — CID 5161

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IUPAC2-(2-hydroxybenzoyl)oxybenzoic acid
SMILESO=C(Oc1ccccc1C(=O)O)c1ccccc1O
InChIInChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)
InChIKeyWVYADZUPLLSGPU-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.31
Rot. Bonds3

About 2-(2-hydroxybenzoyl)oxybenzoic acid

2-(2-hydroxybenzoyl)oxybenzoic acid (PubChem CID 5161) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(2-hydroxybenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name2-(2-hydroxybenzoyl)oxybenzoic acid
PubChem CID5161
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name2-(2-hydroxybenzoyl)oxybenzoic acid
SMILESO=C(Oc1ccccc1C(=O)O)c1ccccc1O
InChIInChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)
InChIKeyWVYADZUPLLSGPU-UHFFFAOYSA-N
XLogP2.31
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl Salicylate
CID 4133
Apigenin
CID 5280443
Aspirin
CID 2244
Dicoumarol
CID 54676038
Phenprocoumon
CID 54680692
Chrysin
CID 5281607
Benzyl Salicylate
CID 8363
3-Phenoxybenzoic acid
CID 19539
Flavonol
CID 11349
Flavone
CID 10680
Phenyl Salicylate
CID 8361
2-Ethylhexyl salicylate
CID 8364

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybenzoyl)oxybenzoic acid?
The IUPAC name of 2-(2-hydroxybenzoyl)oxybenzoic acid (CID 5161) is 2-(2-hydroxybenzoyl)oxybenzoic acid.
What is the SMILES notation for 2-(2-hydroxybenzoyl)oxybenzoic acid?
The canonical SMILES for 2-(2-hydroxybenzoyl)oxybenzoic acid is O=C(Oc1ccccc1C(=O)O)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxybenzoyl)oxybenzoic acid?
The InChIKey is WVYADZUPLLSGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17).
What are the key properties of 2-(2-hydroxybenzoyl)oxybenzoic acid?
2-(2-hydroxybenzoyl)oxybenzoic acid has a molecular weight of 258.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybenzoyl)oxybenzoic acid is sourced from PubChem (CID 5161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).