[3-(Benzyloxy)propyl]benzene
Basic information
- CAS
70770-06-8- Standard SMILES
c1ccc(CCCOCc2ccccc2)cc1- InChIKey
UJEBVGCFOMTYGH-UHFFFAOYSA-N- Molecular formula
- C16H18O
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.13576519
Names & identifiers
- Preferred name
- [3-(Benzyloxy)propyl]benzene
- IUPAC
- 3-phenylmethoxypropylbenzene
Names & synonyms
70770-06-8NSC406968[3-(Benzyloxy)propyl]benzeneSCHEMBL4069935SCHEMBL4069939SCHEMBL6998625SCHEMBL6999489SCHEMBL10675939DTXSID70324543NSC-406968
Database identifiers
- CAS
70770-06-8- PubChem CID
- 347996
- DTXSID
DTXSID70324543- Nikkaji
- J484.667B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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