Basic information
- CAS
93006-78-1- Standard SMILES
OCC(O)COc1ccccc1OCc1ccccc1- InChIKey
DWFXXPGZPLELIP-UHFFFAOYSA-N- Molecular formula
- C16H18O4
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.12050906
Names & identifiers
- Preferred name
- 1,2-Propanediol, 3-((o-benzyloxy)phenoxy)-
- IUPAC
- 3-(2-phenylmethoxyphenoxy)propane-1,2-diol
Names & synonyms
3-(o-Benzyloxyphenoxy)-1,2-propanediol1,2-Propanediol, 3-((o-benzyloxy)phenoxy)-1,2-Propanediol, 3-(2-(phenylmethoxy)phenoxy)-93006-78-1RefChem:216433SCHEMBL7775128DTXSID10918783DWFXXPGZPLELIP-UHFFFAOYSA-N3-[2-(Phenylmethoxy)phenoxy]-1,2-propanediol3-[2-(BENZYLOXY)PHENOXY]PROPANE-1,2-DIOL
Database identifiers
- CAS
93006-78-1- PubChem CID
- 3022052
- DTXSID
DTXSID10918783
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 253
Related reactions
4 records
Compound notes
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