Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester
Basic information
- CAS
17753-04-7- Standard SMILES
Cc1ccccc1OCC(O)COC(=O)COc1ccccc1- InChIKey
CXLVKDRAZOBSFD-UHFFFAOYSA-N- Molecular formula
- C18H20O5
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.13107373
Names & identifiers
- Preferred name
- Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester
- IUPAC
- [2-hydroxy-3-(2-methylphenoxy)propyl] 2-phenoxyacetate
Names & synonyms
17753-04-7RefChem:1075758Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl esterPhenoxy acetic acid 2-hydroxy-3-(o-tolyloxy)propyl esterACETIC ACID, PHENOXY-, 2-HYDROXY-3-(o-TOLYLOXY)PROPYL ESTERDTXSID009389552-Hydroxy-3-(2-methylphenoxy)propyl phenoxyacetate
Database identifiers
- CAS
17753-04-7- PubChem CID
- 28729
- DTXSID
DTXSID00938955- Nikkaji
- J86.263K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 340
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Compound notes
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