phenyl 2-hydroxybenzoate

C13H10O3 — CID 8361

💊View drug profile → phenyl salicylate
IUPACphenyl 2-hydroxybenzoate
SMILESO=C(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
InChIKeyZQBAKBUEJOMQEX-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.61
Rot. Bonds2

About phenyl 2-hydroxybenzoate

phenyl 2-hydroxybenzoate (PubChem CID 8361) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is phenyl 2-hydroxybenzoate.

Molecular Properties

Compound Namephenyl 2-hydroxybenzoate
PubChem CID8361
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Namephenyl 2-hydroxybenzoate
SMILESO=C(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
InChIKeyZQBAKBUEJOMQEX-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Salicylic Acid
CID 338
Methyl Salicylate
CID 4133
Aspirin
CID 2244
Phenprocoumon
CID 54680692
Benzyl Salicylate
CID 8363
4-Hydroxycoumarin
CID 54682930
3-Phenoxybenzoic acid
CID 19539
Flavonol
CID 11349
Flavone
CID 10680
Salsalate
CID 5161
2-Ethylhexyl salicylate
CID 8364
Ethyl Salicylate
CID 8365

Frequently Asked Questions

What is the IUPAC name of phenyl 2-hydroxybenzoate?
The IUPAC name of phenyl 2-hydroxybenzoate (CID 8361) is phenyl 2-hydroxybenzoate.
What is the SMILES notation for phenyl 2-hydroxybenzoate?
The canonical SMILES for phenyl 2-hydroxybenzoate is O=C(Oc1ccccc1)c1ccccc1O.
What is the InChIKey of phenyl 2-hydroxybenzoate?
The InChIKey is ZQBAKBUEJOMQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of phenyl 2-hydroxybenzoate?
phenyl 2-hydroxybenzoate has a molecular weight of 214.22 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-hydroxybenzoate is sourced from PubChem (CID 8361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).