Methyl 2-(4-methylphenoxy)benzoate
Basic information
- CAS
21905-72-6- Standard SMILES
COC(=O)c1ccccc1Oc1ccc(C)cc1- InChIKey
YUVWKZDKWYOCFL-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- Methyl 2-(4-methylphenoxy)benzoate
- IUPAC
- methyl 2-(4-methylphenoxy)benzoate
- English name
- 2-(4-Methylphenoxy)benzoic acid methyl ester
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
Methyl 2-(4-methylphenoxy)benzoate21905-72-6DTXSID90347113RefChem:353864DTXCID80298185o-(p-Tolyloxy)benzoic Acid Methyl Ester2-(4-Methylphenoxy)benzoic acid methyl esterMethyl 2-(p-tolyloxy)benzoateSCHEMBL432Benzoic acid, o-(p-tolyloxy)-, methyl estermethyl 2-(4-methylphenoxyl)benzoateMethyl 2-(4-methylphenoxy)benzoate #
Show more names
YUVWKZDKWYOCFL-UHFFFAOYSA-N
Benzoic acid, 2-(4-methylphenoxy)-, methyl ester
Database identifiers
- CAS
21905-72-6- PubChem CID
- 618012
- DTXSID
DTXSID90347113- Nikkaji
- J103.052C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 117 · 117-119 °C(Press: 0.1 Torr)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- solubility
- Chloroform, DCM, Ethyl Acetate
- form
- Oil
- color
- Colourless
Chemistry & industry
Applications
Useso-(p-Tolyloxy)benzoic Acid Methyl Ester is an intermediate in the synthesis of Balsalazide (B116300) related compounds.
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Related reactions
10 records
Compound notes
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