Basic information
- Standard SMILES
O=C(OCCCCCO)c1ccccc1- InChIKey
ZDFJGZURXDDEHQ-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
Names & identifiers
- Preferred name
- 5-Hydroxypentyl benzoate
- IUPAC
- 5-hydroxypentyl benzoate
Names & synonyms
5-Hydroxypentyl benzoate1,5-Pentanediol, monobenzoate5-benzoyloxypentan-1-ol5-Hydroxypentyl benzoate #SCHEMBL913237SCHEMBL7353183DB-317712
Database identifiers
- PubChem CID
- 569873
- Nikkaji
- J122.397F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Related reactions
10 records
Compound notes
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