Basic information
- Standard SMILES
CCC1(COc2ccc(-c3ccccc3)c(C(=O)O)c2)COC1- InChIKey
IPLFSAAQCRBVNG-UHFFFAOYSA-N- Molecular formula
- C19H20O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13615911
Names & identifiers
- Preferred name
- 4-(3-Ethyloxetane-3-ylmethoxy)biphenylcarboxylic acid
- IUPAC
- 5-[(3-ethyloxetan-3-yl)methoxy]-2-phenylbenzoic acid
Names & synonyms
SCHEMBL4323602IPLFSAAQCRBVNG-UHFFFAOYSA-N4-(3-ethyloxetane-3-ylmethoxy)biphenylcarboxylic acid
Database identifiers
- PubChem CID
- 69003209
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Related reactions
1 records
Compound notes
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