ethyl 2-(2-fluorobenzoyl)oxybenzoate

C16H13FO4 — CID 23011835

IUPACethyl 2-(2-fluorobenzoyl)oxybenzoate
SMILESCCOC(=O)c1ccccc1OC(=O)c1ccccc1F
InChIInChI=1S/C16H13FO4/c1-2-20-15(18)12-8-4-6-10-14(12)21-16(19)11-7-3-5-9-13(11)17/h3-10H,2H2,1H3
InChIKeyMSKAVJDXCDALAP-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.22
Rot. Bonds4

About ethyl 2-(2-fluorobenzoyl)oxybenzoate

ethyl 2-(2-fluorobenzoyl)oxybenzoate (PubChem CID 23011835) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is ethyl 2-(2-fluorobenzoyl)oxybenzoate.

Molecular Properties

Compound Nameethyl 2-(2-fluorobenzoyl)oxybenzoate
PubChem CID23011835
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Nameethyl 2-(2-fluorobenzoyl)oxybenzoate
SMILESCCOC(=O)c1ccccc1OC(=O)c1ccccc1F
InChIInChI=1S/C16H13FO4/c1-2-20-15(18)12-8-4-6-10-14(12)21-16(19)11-7-3-5-9-13(11)17/h3-10H,2H2,1H3
InChIKeyMSKAVJDXCDALAP-UHFFFAOYSA-N
XLogP3.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2,3-difluorobenzoate
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ethyl 5-bromo-2-(2-ethoxybenzoyl)oxybenzoate
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ethyl 2-(3,4-difluorophenoxy)benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluorobenzoyl)oxybenzoate?
The IUPAC name of ethyl 2-(2-fluorobenzoyl)oxybenzoate (CID 23011835) is ethyl 2-(2-fluorobenzoyl)oxybenzoate.
What is the SMILES notation for ethyl 2-(2-fluorobenzoyl)oxybenzoate?
The canonical SMILES for ethyl 2-(2-fluorobenzoyl)oxybenzoate is CCOC(=O)c1ccccc1OC(=O)c1ccccc1F.
What is the InChIKey of ethyl 2-(2-fluorobenzoyl)oxybenzoate?
The InChIKey is MSKAVJDXCDALAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4/c1-2-20-15(18)12-8-4-6-10-14(12)21-16(19)11-7-3-5-9-13(11)17/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(2-fluorobenzoyl)oxybenzoate?
ethyl 2-(2-fluorobenzoyl)oxybenzoate has a molecular weight of 288.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluorobenzoyl)oxybenzoate is sourced from PubChem (CID 23011835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).