Basic information
- CAS
100311-43-1- Standard SMILES
CCCc1cc(C(=O)O)cc(CCC)c1OCc1ccccc1- InChIKey
DWVYXNYUKKZNIU-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Names & identifiers
- Preferred name
- Benzoic acid, 4-(benzyloxy)-3,5-dipropyl-
- IUPAC
- 4-phenylmethoxy-3,5-dipropylbenzoic acid
Names & synonyms
BRN 2597974BENZOIC ACID, 4-(BENZYLOXY)-3,5-DIPROPYL-4-Benzyloxy-3,5-dipropylbenzoic acid100311-43-1DTXSID50143158RefChem:327484DTXCID50656494-(benzyloxy)-3,5-dipropylbenzoic acid
Database identifiers
- CAS
100311-43-1- PubChem CID
- 57774
- DTXSID
DTXSID50143158- Nikkaji
- J73.860C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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