ethyl 2-acetyloxybenzoate;pyridine

C16H17NO4 — CID 174842838

IUPACethyl 2-acetyloxybenzoate;pyridine
SMILESCCOC(=O)c1ccccc1OC(C)=O.c1ccncc1
InChIInChI=1S/C11H12O4.C5H5N/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12;1-2-4-6-5-3-1/h4-7H,3H2,1-2H3;1-5H
InChIKeyLOXFHMHBFUWYSX-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.87
Rot. Bonds3

About ethyl 2-acetyloxybenzoate;pyridine

ethyl 2-acetyloxybenzoate;pyridine (PubChem CID 174842838) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 2-acetyloxybenzoate;pyridine.

Molecular Properties

Compound Nameethyl 2-acetyloxybenzoate;pyridine
PubChem CID174842838
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Nameethyl 2-acetyloxybenzoate;pyridine
SMILESCCOC(=O)c1ccccc1OC(C)=O.c1ccncc1
InChIInChI=1S/C11H12O4.C5H5N/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12;1-2-4-6-5-3-1/h4-7H,3H2,1-2H3;1-5H
InChIKeyLOXFHMHBFUWYSX-UHFFFAOYSA-N
XLogP2.87
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
6-(2-acetyloxybenzoyl)oxyhexyl 2-acetyloxybenzoate
CID 18720465
ethyl 2-(2,2-dimethylpropanoyloxy)benzoate
CID 71314327
[4-(2-ethoxycarbonyloxybenzoyl)oxycyclohexyl] 2-acetyloxybenzoate
CID 89252836
[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate
CID 15616258
ethyl 2-(2-fluorobenzoyl)oxybenzoate
CID 23011835
pyridin-2-yl 2-acetyloxybenzoate
CID 835876
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
2-[2-(2-acetyloxybenzoyl)oxyethoxy]acetic acid
CID 124895090

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxybenzoate;pyridine?
The IUPAC name of ethyl 2-acetyloxybenzoate;pyridine (CID 174842838) is ethyl 2-acetyloxybenzoate;pyridine.
What is the SMILES notation for ethyl 2-acetyloxybenzoate;pyridine?
The canonical SMILES for ethyl 2-acetyloxybenzoate;pyridine is CCOC(=O)c1ccccc1OC(C)=O.c1ccncc1.
What is the InChIKey of ethyl 2-acetyloxybenzoate;pyridine?
The InChIKey is LOXFHMHBFUWYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4.C5H5N/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12;1-2-4-6-5-3-1/h4-7H,3H2,1-2H3;1-5H.
What are the key properties of ethyl 2-acetyloxybenzoate;pyridine?
ethyl 2-acetyloxybenzoate;pyridine has a molecular weight of 287.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxybenzoate;pyridine is sourced from PubChem (CID 174842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).