Basic information
- Standard SMILES
CCC1(COC)CC(C(=O)OC)=CC=C1c1ccccc1- InChIKey
PSBIVBVDXSZWBV-UHFFFAOYSA-N- Molecular formula
- C18H22O3
- Average molar mass
- 286.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-ethyl-2-(methoxymethyl)-1,1'-biphenyl-4-carboxylate
- IUPAC
- methyl 5-ethyl-5-(methoxymethyl)-4-phenylcyclohexa-1,3-diene-1-carboxylate
Names & synonyms
SCHEMBL2419172PSBIVBVDXSZWBV-UHFFFAOYSA-Nmethyl 2-ethyl-2-(methoxymethyl)-1,1'-biphenyl-4-carboxylate
Database identifiers
- PubChem CID
- 67401037
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Related reactions
1 records
Compound notes
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