methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate

C17H16O4 — CID 14946047

IUPACmethyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H16O4/c1-20-13-9-7-12(8-10-13)11-16(18)14-5-3-4-6-15(14)17(19)21-2/h3-10H,11H2,1-2H3
InChIKeyMNGFNZHXXPWJJB-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.91
Rot. Bonds5

About methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate

methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate (PubChem CID 14946047) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
PubChem CID14946047
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namemethyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H16O4/c1-20-13-9-7-12(8-10-13)11-16(18)14-5-3-4-6-15(14)17(19)21-2/h3-10H,11H2,1-2H3
InChIKeyMNGFNZHXXPWJJB-UHFFFAOYSA-N
XLogP2.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
N-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)benzamide
CID 1274362
methyl 2-[2-(4-nitrophenyl)acetyl]benzoate
CID 71393749
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407595
methyl 2-[2-(4-methoxyphenyl)acetyl]oxy-3-methylbenzoate
CID 53243231
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate
CID 134964677
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate?
The IUPAC name of methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate (CID 14946047) is methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate.
What is the SMILES notation for methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate?
The canonical SMILES for methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate is COC(=O)c1ccccc1C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate?
The InChIKey is MNGFNZHXXPWJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-20-13-9-7-12(8-10-13)11-16(18)14-5-3-4-6-15(14)17(19)21-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate?
methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate has a molecular weight of 284.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate is sourced from PubChem (CID 14946047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).