benzyl 4-acetyloxybenzoate

C16H14O4 — CID 734064

IUPACbenzyl 4-acetyloxybenzoate
SMILESCC(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H14O4/c1-12(17)20-15-9-7-14(8-10-15)16(18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyBLFQWFJOXSGTGK-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.97
Rot. Bonds4

About benzyl 4-acetyloxybenzoate

benzyl 4-acetyloxybenzoate (PubChem CID 734064) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is benzyl 4-acetyloxybenzoate.

Molecular Properties

Compound Namebenzyl 4-acetyloxybenzoate
PubChem CID734064
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namebenzyl 4-acetyloxybenzoate
SMILESCC(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H14O4/c1-12(17)20-15-9-7-14(8-10-15)16(18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyBLFQWFJOXSGTGK-UHFFFAOYSA-N
XLogP2.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.97
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

benzyl 3-acetyloxybenzoate
CID 11334719
benzyl acetate;benzyl benzoate
CID 158805672
benzyl 4-acetylbenzoate
CID 590101
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
benzyl benzoate
CID 2345
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 4-trimethylsilyloxybenzoate
CID 528810
benzyl 4-propan-2-yloxybenzoate
CID 70079883
[2-(4-acetyloxyphenyl)-2-oxoethyl] benzoate
CID 4569147
benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 19179629
benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
CID 19179593

Frequently Asked Questions

What is the IUPAC name of benzyl 4-acetyloxybenzoate?
The IUPAC name of benzyl 4-acetyloxybenzoate (CID 734064) is benzyl 4-acetyloxybenzoate.
What is the SMILES notation for benzyl 4-acetyloxybenzoate?
The canonical SMILES for benzyl 4-acetyloxybenzoate is CC(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-acetyloxybenzoate?
The InChIKey is BLFQWFJOXSGTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-12(17)20-15-9-7-14(8-10-15)16(18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of benzyl 4-acetyloxybenzoate?
benzyl 4-acetyloxybenzoate has a molecular weight of 270.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-acetyloxybenzoate is sourced from PubChem (CID 734064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).