Basic information
- CAS
55000-48-1- Standard SMILES
Cc1ccc(COC(=O)c2cc(C)ccc2C)c(C)c1- InChIKey
IENKFXNUDJZDBB-UHFFFAOYSA-N- Molecular formula
- C18H20O2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.14632988
Names & identifiers
- Preferred name
- 2,4-Dimethylbenzyl 2,5-dimethylbenzoate
- IUPAC
- (2,4-dimethylphenyl)methyl 2,5-dimethylbenzoate
- English name
- 2,5-Dimethylbenzoic acid (2,4-dimethylphenyl)methyl ester
- Molecular formula
- C18H20O2
- Molecular weight
- 268.35
Names & synonyms
2,4-Dimethylbenzyl 2,5-dimethylbenzoate55000-48-1DTXSID50341935RefChem:246610DTXCID40293015(2,4-dimethylphenyl)methyl 2,5-dimethylbenzoate2,5-Dimethylbenzoic acid (2,4-dimethylphenyl)methyl esterIENKFXNUDJZDBB-UHFFFAOYSA-NBenzoic acid, 2,5-dimethyl-, (2,4-dimethylphenyl)methyl ester2,4-Dimethylbenzyl 2,5-dimethylbenzoate #DB-302473
Database identifiers
- CAS
55000-48-1- PubChem CID
- 577107
- DTXSID
DTXSID50341935- Nikkaji
- J112.402A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…