(2-methoxybenzoyl) 2-methoxybenzoate

C16H14O5 — CID 15574215

IUPAC(2-methoxybenzoyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC(=O)c1ccccc1OC
InChIInChI=1S/C16H14O5/c1-19-13-9-5-3-7-11(13)15(17)21-16(18)12-8-4-6-10-14(12)20-2/h3-10H,1-2H3
InChIKeyCPPYQMZQDONVGK-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.70
Rot. Bonds4

About (2-methoxybenzoyl) 2-methoxybenzoate

(2-methoxybenzoyl) 2-methoxybenzoate (PubChem CID 15574215) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2-methoxybenzoyl) 2-methoxybenzoate.

Molecular Properties

Compound Name(2-methoxybenzoyl) 2-methoxybenzoate
PubChem CID15574215
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(2-methoxybenzoyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC(=O)c1ccccc1OC
InChIInChI=1S/C16H14O5/c1-19-13-9-5-3-7-11(13)15(17)21-16(18)12-8-4-6-10-14(12)20-2/h3-10H,1-2H3
InChIKeyCPPYQMZQDONVGK-UHFFFAOYSA-N
XLogP2.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Aspirin
CID 2244
Methyl Salicylate
CID 4133
Benzyl Salicylate
CID 8363
Salsalate
CID 5161
Flavone
CID 10680
Phenyl Salicylate
CID 8361
2-Ethylhexyl salicylate
CID 8364
Ethyl Salicylate
CID 8365
Xanthone
CID 7020
Isoflavone
CID 72304
5-Methoxysalicylic Acid
CID 75787
p-tert-Butylphenyl salicylate
CID 66597

Frequently Asked Questions

What is the IUPAC name of (2-methoxybenzoyl) 2-methoxybenzoate?
The IUPAC name of (2-methoxybenzoyl) 2-methoxybenzoate (CID 15574215) is (2-methoxybenzoyl) 2-methoxybenzoate.
What is the SMILES notation for (2-methoxybenzoyl) 2-methoxybenzoate?
The canonical SMILES for (2-methoxybenzoyl) 2-methoxybenzoate is COc1ccccc1C(=O)OC(=O)c1ccccc1OC.
What is the InChIKey of (2-methoxybenzoyl) 2-methoxybenzoate?
The InChIKey is CPPYQMZQDONVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-13-9-5-3-7-11(13)15(17)21-16(18)12-8-4-6-10-14(12)20-2/h3-10H,1-2H3.
What are the key properties of (2-methoxybenzoyl) 2-methoxybenzoate?
(2-methoxybenzoyl) 2-methoxybenzoate has a molecular weight of 286.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxybenzoyl) 2-methoxybenzoate is sourced from PubChem (CID 15574215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).