methyl 2-benzoyloxy-3-hydroxybenzoate

C15H12O5 — CID 68781973

IUPACmethyl 2-benzoyloxy-3-hydroxybenzoate
SMILESCOC(=O)c1cccc(O)c1OC(=O)c1ccccc1
InChIInChI=1S/C15H12O5/c1-19-15(18)11-8-5-9-12(16)13(11)20-14(17)10-6-3-2-4-7-10/h2-9,16H,1H3
InChIKeyHBZFDGWAWSQVIJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.40
Rot. Bonds3

About methyl 2-benzoyloxy-3-hydroxybenzoate

methyl 2-benzoyloxy-3-hydroxybenzoate (PubChem CID 68781973) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl 2-benzoyloxy-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-benzoyloxy-3-hydroxybenzoate
PubChem CID68781973
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Namemethyl 2-benzoyloxy-3-hydroxybenzoate
SMILESCOC(=O)c1cccc(O)c1OC(=O)c1ccccc1
InChIInChI=1S/C15H12O5/c1-19-15(18)11-8-5-9-12(16)13(11)20-14(17)10-6-3-2-4-7-10/h2-9,16H,1H3
InChIKeyHBZFDGWAWSQVIJ-UHFFFAOYSA-N
XLogP2.40
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 3-hydroxy-2-propan-2-yloxybenzoate
CID 69409235
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
phenyl 3-hydroxy-2-methoxybenzoate
CID 69024035
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 5-acetyl-4-benzoyloxythiophene-3-carboxylate
CID 18399622
(5-hydroxynaphthalen-1-yl) benzoate
CID 646429
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 5-[(4-benzoyloxy-3-methoxycarbonylphenyl)diazenyl]-2-hydroxybenzoate
CID 141026175
ethane;methoxymethane;methyl benzoate
CID 90999424

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzoyloxy-3-hydroxybenzoate?
The IUPAC name of methyl 2-benzoyloxy-3-hydroxybenzoate (CID 68781973) is methyl 2-benzoyloxy-3-hydroxybenzoate.
What is the SMILES notation for methyl 2-benzoyloxy-3-hydroxybenzoate?
The canonical SMILES for methyl 2-benzoyloxy-3-hydroxybenzoate is COC(=O)c1cccc(O)c1OC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzoyloxy-3-hydroxybenzoate?
The InChIKey is HBZFDGWAWSQVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-19-15(18)11-8-5-9-12(16)13(11)20-14(17)10-6-3-2-4-7-10/h2-9,16H,1H3.
What are the key properties of methyl 2-benzoyloxy-3-hydroxybenzoate?
methyl 2-benzoyloxy-3-hydroxybenzoate has a molecular weight of 272.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzoyloxy-3-hydroxybenzoate is sourced from PubChem (CID 68781973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).