ethyl 2-acetyloxybenzoate;hydrochloride

C11H13ClO4 — CID 168984732

IUPACethyl 2-acetyloxybenzoate;hydrochloride
SMILESCCOC(=O)c1ccccc1OC(C)=O.Cl
InChIInChI=1S/C11H12O4.ClH/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12;/h4-7H,3H2,1-2H3;1H
InChIKeyKXVZQDKZUMERAQ-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.21
Rot. Bonds3

About ethyl 2-acetyloxybenzoate;hydrochloride

ethyl 2-acetyloxybenzoate;hydrochloride (PubChem CID 168984732) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is ethyl 2-acetyloxybenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-acetyloxybenzoate;hydrochloride
PubChem CID168984732
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Nameethyl 2-acetyloxybenzoate;hydrochloride
SMILESCCOC(=O)c1ccccc1OC(C)=O.Cl
InChIInChI=1S/C11H12O4.ClH/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12;/h4-7H,3H2,1-2H3;1H
InChIKeyKXVZQDKZUMERAQ-UHFFFAOYSA-N
XLogP2.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.21
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

ethyl 2-acetyloxybenzoate;pyridine
CID 174842838
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
2-(2-acetyloxybenzoyl)oxyethyl-diethylazanium
CID 140799841
4-oxopentyl 2-acetyloxybenzoate
CID 89129205
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
4-(2-ethoxycarbonylphenoxy)carbonylbenzoate
CID 18428931

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxybenzoate;hydrochloride?
The IUPAC name of ethyl 2-acetyloxybenzoate;hydrochloride (CID 168984732) is ethyl 2-acetyloxybenzoate;hydrochloride.
What is the SMILES notation for ethyl 2-acetyloxybenzoate;hydrochloride?
The canonical SMILES for ethyl 2-acetyloxybenzoate;hydrochloride is CCOC(=O)c1ccccc1OC(C)=O.Cl.
What is the InChIKey of ethyl 2-acetyloxybenzoate;hydrochloride?
The InChIKey is KXVZQDKZUMERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4.ClH/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12;/h4-7H,3H2,1-2H3;1H.
What are the key properties of ethyl 2-acetyloxybenzoate;hydrochloride?
ethyl 2-acetyloxybenzoate;hydrochloride has a molecular weight of 244.67 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxybenzoate;hydrochloride is sourced from PubChem (CID 168984732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).