tert-butyl 4-(4-acetylphenyl)benzoate

C19H20O3 — CID 143956110

IUPACtert-butyl 4-(4-acetylphenyl)benzoate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H20O3/c1-13(20)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(21)22-19(2,3)4/h5-12H,1-4H3
InChIKeyOPLLKPNUHFMSCN-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.51
Rot. Bonds3

About tert-butyl 4-(4-acetylphenyl)benzoate

tert-butyl 4-(4-acetylphenyl)benzoate (PubChem CID 143956110) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 4-(4-acetylphenyl)benzoate.

Molecular Properties

Compound Nametert-butyl 4-(4-acetylphenyl)benzoate
PubChem CID143956110
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nametert-butyl 4-(4-acetylphenyl)benzoate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H20O3/c1-13(20)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(21)22-19(2,3)4/h5-12H,1-4H3
InChIKeyOPLLKPNUHFMSCN-UHFFFAOYSA-N
XLogP4.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]benzoate
CID 173271816
tert-butyl 4-[4-(2-aminoethyl)phenyl]benzoate
CID 58148672
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
tert-butyl 4-(2-methylphenyl)benzoate
CID 139686014
CID 162139404
CID 162139404
1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one
CID 90181841
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326
tert-butyl 4-(hydroxyamino)benzoate
CID 45089836
tert-butyl 4-(hydroxycarbamoyl)benzoate
CID 164566523
methyl 4-[4-[4-(4-acetylphenyl)benzoyl]oxycarbonylphenyl]benzoate
CID 171057424
tert-butyl 4-(dimethylcarbamoyl)benzoate
CID 138647687

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-acetylphenyl)benzoate?
The IUPAC name of tert-butyl 4-(4-acetylphenyl)benzoate (CID 143956110) is tert-butyl 4-(4-acetylphenyl)benzoate.
What is the SMILES notation for tert-butyl 4-(4-acetylphenyl)benzoate?
The canonical SMILES for tert-butyl 4-(4-acetylphenyl)benzoate is CC(=O)c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl 4-(4-acetylphenyl)benzoate?
The InChIKey is OPLLKPNUHFMSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-13(20)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(21)22-19(2,3)4/h5-12H,1-4H3.
What are the key properties of tert-butyl 4-(4-acetylphenyl)benzoate?
tert-butyl 4-(4-acetylphenyl)benzoate has a molecular weight of 296.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-acetylphenyl)benzoate is sourced from PubChem (CID 143956110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).