ethyl 4-(4-acetyloxyphenyl)benzoate

C17H16O4 — CID 122206053

IUPACethyl 4-(4-acetyloxyphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C17H16O4/c1-3-20-17(19)15-6-4-13(5-7-15)14-8-10-16(11-9-14)21-12(2)18/h4-11H,3H2,1-2H3
InChIKeyDSUHVTIVBOMMBA-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.46
Rot. Bonds4

About ethyl 4-(4-acetyloxyphenyl)benzoate

ethyl 4-(4-acetyloxyphenyl)benzoate (PubChem CID 122206053) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 4-(4-acetyloxyphenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-acetyloxyphenyl)benzoate
PubChem CID122206053
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Nameethyl 4-(4-acetyloxyphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C17H16O4/c1-3-20-17(19)15-6-4-13(5-7-15)14-8-10-16(11-9-14)21-12(2)18/h4-11H,3H2,1-2H3
InChIKeyDSUHVTIVBOMMBA-UHFFFAOYSA-N
XLogP3.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.46
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

(4-ethoxycarbonylphenyl) 4-(4-propylphenyl)benzoate
CID 59917202
bis(4-ethoxycarbonylphenyl) (Z)-but-2-enedioate
CID 58764671
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
6-(4-acetyloxybenzoyl)oxyhexyl 4-acetyloxybenzoate
CID 54565430
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(4-sulfanylphenyl)benzoate
CID 70674807
2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807591
2-(4-chlorophenoxy)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807558
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetyloxyphenyl)benzoate?
The IUPAC name of ethyl 4-(4-acetyloxyphenyl)benzoate (CID 122206053) is ethyl 4-(4-acetyloxyphenyl)benzoate.
What is the SMILES notation for ethyl 4-(4-acetyloxyphenyl)benzoate?
The canonical SMILES for ethyl 4-(4-acetyloxyphenyl)benzoate is CCOC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of ethyl 4-(4-acetyloxyphenyl)benzoate?
The InChIKey is DSUHVTIVBOMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-3-20-17(19)15-6-4-13(5-7-15)14-8-10-16(11-9-14)21-12(2)18/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-acetyloxyphenyl)benzoate?
ethyl 4-(4-acetyloxyphenyl)benzoate has a molecular weight of 284.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetyloxyphenyl)benzoate is sourced from PubChem (CID 122206053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).