ethyl 4-methyl-2-(4-methylbenzoyl)benzoate

C18H18O3 — CID 102187690

IUPACethyl 4-methyl-2-(4-methylbenzoyl)benzoate
SMILESCCOC(=O)c1ccc(C)cc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H18O3/c1-4-21-18(20)15-10-7-13(3)11-16(15)17(19)14-8-5-12(2)6-9-14/h5-11H,4H2,1-3H3
InChIKeyRRQAOBWKYIVYNQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.71
Rot. Bonds4

About ethyl 4-methyl-2-(4-methylbenzoyl)benzoate

ethyl 4-methyl-2-(4-methylbenzoyl)benzoate (PubChem CID 102187690) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 4-methyl-2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(4-methylbenzoyl)benzoate
PubChem CID102187690
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Nameethyl 4-methyl-2-(4-methylbenzoyl)benzoate
SMILESCCOC(=O)c1ccc(C)cc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H18O3/c1-4-21-18(20)15-10-7-13(3)11-16(15)17(19)14-8-5-12(2)6-9-14/h5-11H,4H2,1-3H3
InChIKeyRRQAOBWKYIVYNQ-UHFFFAOYSA-N
XLogP3.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
4-ethoxycarbonylbenzene-1,3-dicarboxylic acid;hydrate
CID 174539345
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063
ethyl 2-(3-chloropropanoyl)-5-methylbenzoate
CID 134631759
1-O-(1,3-dimethoxypropan-2-yl) 2-O-ethyl 4-methylbenzene-1,2-dicarboxylate
CID 141353503
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(4-methylbenzoyl)benzoate?
The IUPAC name of ethyl 4-methyl-2-(4-methylbenzoyl)benzoate (CID 102187690) is ethyl 4-methyl-2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for ethyl 4-methyl-2-(4-methylbenzoyl)benzoate?
The canonical SMILES for ethyl 4-methyl-2-(4-methylbenzoyl)benzoate is CCOC(=O)c1ccc(C)cc1C(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 4-methyl-2-(4-methylbenzoyl)benzoate?
The InChIKey is RRQAOBWKYIVYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-4-21-18(20)15-10-7-13(3)11-16(15)17(19)14-8-5-12(2)6-9-14/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-(4-methylbenzoyl)benzoate?
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate has a molecular weight of 282.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 102187690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).