methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate

C17H16O4 — CID 78759931

IUPACmethyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H16O4/c1-12-6-8-14(9-7-12)17(19)21-11-13-4-3-5-15(10-13)16(18)20-2/h3-10H,11H2,1-2H3
InChIKeyYOMVVAFRHVRFSI-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.14
Rot. Bonds4

About methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate

methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate (PubChem CID 78759931) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
PubChem CID78759931
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namemethyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H16O4/c1-12-6-8-14(9-7-12)17(19)21-11-13-4-3-5-15(10-13)16(18)20-2/h3-10H,11H2,1-2H3
InChIKeyYOMVVAFRHVRFSI-UHFFFAOYSA-N
XLogP3.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxycarbonylphenyl)methyl 3-methyl-4-nitrobenzoate
CID 957248
(3-methoxycarbonylphenyl)methyl 4-methyl-3-nitrobenzoate
CID 957055
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
CID 8705374
(3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate
CID 78762185
methyl 3-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]oxymethyl]benzoate
CID 42980004
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 3-(3-phenylpropanoyloxymethyl)benzoate
CID 78759984
(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate
CID 2953632

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate?
The IUPAC name of methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate (CID 78759931) is methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate?
The canonical SMILES for methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate is COC(=O)c1cccc(COC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate?
The InChIKey is YOMVVAFRHVRFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-12-6-8-14(9-7-12)17(19)21-11-13-4-3-5-15(10-13)16(18)20-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate?
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate has a molecular weight of 284.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate is sourced from PubChem (CID 78759931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).