methyl 2-(2-acetylphenyl)-4-methylbenzoate

C17H16O3 — CID 143835405

IUPACmethyl 2-(2-acetylphenyl)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)cc1-c1ccccc1C(C)=O
InChIInChI=1S/C17H16O3/c1-11-8-9-15(17(19)20-3)16(10-11)14-7-5-4-6-13(14)12(2)18/h4-10H,1-3H3
InChIKeyMTDOPPFYQNOBEW-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.65
Rot. Bonds3

About methyl 2-(2-acetylphenyl)-4-methylbenzoate

methyl 2-(2-acetylphenyl)-4-methylbenzoate (PubChem CID 143835405) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 2-(2-acetylphenyl)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(2-acetylphenyl)-4-methylbenzoate
PubChem CID143835405
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namemethyl 2-(2-acetylphenyl)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)cc1-c1ccccc1C(C)=O
InChIInChI=1S/C17H16O3/c1-11-8-9-15(17(19)20-3)16(10-11)14-7-5-4-6-13(14)12(2)18/h4-10H,1-3H3
InChIKeyMTDOPPFYQNOBEW-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-acetylazulene-1-carboxylate
CID 11241652
methyl 2-(2-methoxyphenyl)-5-methylbenzoate
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methyl 2-(2-chlorophenyl)benzoate
CID 1393589
di(113C)methyl benzene-1,2-dicarboxylate
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ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 2-(3-chloro-5-methyl-2-benzofuran-1-yl)benzoate
CID 57025261
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-(chloromethyl)-4-methylbenzoate
CID 147716763
propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate
CID 141181595
methyl 2-(5-acetylfuran-2-yl)benzoate
CID 16649203
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetylphenyl)-4-methylbenzoate?
The IUPAC name of methyl 2-(2-acetylphenyl)-4-methylbenzoate (CID 143835405) is methyl 2-(2-acetylphenyl)-4-methylbenzoate.
What is the SMILES notation for methyl 2-(2-acetylphenyl)-4-methylbenzoate?
The canonical SMILES for methyl 2-(2-acetylphenyl)-4-methylbenzoate is COC(=O)c1ccc(C)cc1-c1ccccc1C(C)=O.
What is the InChIKey of methyl 2-(2-acetylphenyl)-4-methylbenzoate?
The InChIKey is MTDOPPFYQNOBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-8-9-15(17(19)20-3)16(10-11)14-7-5-4-6-13(14)12(2)18/h4-10H,1-3H3.
What are the key properties of methyl 2-(2-acetylphenyl)-4-methylbenzoate?
methyl 2-(2-acetylphenyl)-4-methylbenzoate has a molecular weight of 268.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetylphenyl)-4-methylbenzoate is sourced from PubChem (CID 143835405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).