(2-acetyloxybenzoyl) 2-acetyloxybenzoate

C18H14O7 — CID 15110

IUPAC(2-acetyloxybenzoyl) 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3
InChIKeyOAWXYINGQXLWOE-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.53
Rot. Bonds4

About (2-acetyloxybenzoyl) 2-acetyloxybenzoate

(2-acetyloxybenzoyl) 2-acetyloxybenzoate (PubChem CID 15110) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is (2-acetyloxybenzoyl) 2-acetyloxybenzoate.

Molecular Properties

Compound Name(2-acetyloxybenzoyl) 2-acetyloxybenzoate
PubChem CID15110
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name(2-acetyloxybenzoyl) 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3
InChIKeyOAWXYINGQXLWOE-UHFFFAOYSA-N
XLogP2.53
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 61151
Triflusal
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Phenyl benzoate
CID 7169
6-Methoxyflavone
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Frequently Asked Questions

What is the IUPAC name of (2-acetyloxybenzoyl) 2-acetyloxybenzoate?
The IUPAC name of (2-acetyloxybenzoyl) 2-acetyloxybenzoate (CID 15110) is (2-acetyloxybenzoyl) 2-acetyloxybenzoate.
What is the SMILES notation for (2-acetyloxybenzoyl) 2-acetyloxybenzoate?
The canonical SMILES for (2-acetyloxybenzoyl) 2-acetyloxybenzoate is CC(=O)Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of (2-acetyloxybenzoyl) 2-acetyloxybenzoate?
The InChIKey is OAWXYINGQXLWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3.
What are the key properties of (2-acetyloxybenzoyl) 2-acetyloxybenzoate?
(2-acetyloxybenzoyl) 2-acetyloxybenzoate has a molecular weight of 342.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxybenzoyl) 2-acetyloxybenzoate is sourced from PubChem (CID 15110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).