ethyl 4-[2-(4-methylphenyl)acetyl]benzoate

C18H18O3 — CID 15182973

IUPACethyl 4-[2-(4-methylphenyl)acetyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O3/c1-3-21-18(20)16-10-8-15(9-11-16)17(19)12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3
InChIKeyIPECMERXRIBGGS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.60
Rot. Bonds5

About ethyl 4-[2-(4-methylphenyl)acetyl]benzoate

ethyl 4-[2-(4-methylphenyl)acetyl]benzoate (PubChem CID 15182973) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 4-[2-(4-methylphenyl)acetyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(4-methylphenyl)acetyl]benzoate
PubChem CID15182973
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Nameethyl 4-[2-(4-methylphenyl)acetyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O3/c1-3-21-18(20)16-10-8-15(9-11-16)17(19)12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3
InChIKeyIPECMERXRIBGGS-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate
CID 5019647
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
ethyl 4-(2-amino-2-sulfanylideneethyl)benzoate
CID 13302179
[3-(4-methylphenyl)-3-oxopropyl] 4-methylbenzoate
CID 157120542
[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl] 4-hydroxybenzoate
CID 89329144
ethyl 4-[(4-methylphenyl)sulfanylmethyl]benzoate
CID 14927153
1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
CID 63527517
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-methylphenyl)acetyl]benzoate?
The IUPAC name of ethyl 4-[2-(4-methylphenyl)acetyl]benzoate (CID 15182973) is ethyl 4-[2-(4-methylphenyl)acetyl]benzoate.
What is the SMILES notation for ethyl 4-[2-(4-methylphenyl)acetyl]benzoate?
The canonical SMILES for ethyl 4-[2-(4-methylphenyl)acetyl]benzoate is CCOC(=O)c1ccc(C(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 4-[2-(4-methylphenyl)acetyl]benzoate?
The InChIKey is IPECMERXRIBGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-21-18(20)16-10-8-15(9-11-16)17(19)12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[2-(4-methylphenyl)acetyl]benzoate?
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate has a molecular weight of 282.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-methylphenyl)acetyl]benzoate is sourced from PubChem (CID 15182973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).