Basic information
- CAS
10374-81-9- Standard SMILES
COC(=O)c1ccc(-c2cccc(-c3ccc(C(=O)OC)cc3)c2)cc1- InChIKey
YEFOHRUNCSINQS-UHFFFAOYSA-N- Molecular formula
- C22H18O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.12050905
Names & identifiers
- Preferred name
- [1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, dimethyl ester
- IUPAC
- methyl 4-[3-(4-methoxycarbonylphenyl)phenyl]benzoate
Names & synonyms
10374-81-9[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, dimethyl esterMethyl 4-[3-(4-methoxycarbonylphenyl)phenyl]benzoateSCHEMBL28189889DTXSID201174701Dimethyl [1~1~,2~1~:2~3~,3~1~-terphenyl]-1~4~,3~4~-dicarboxylate[1,1a(2):3a(2),1a(2)a(2)-Terphenyl]-4,4a(2)a(2)-dicarboxylic acid, dimethyl ester
Database identifiers
- CAS
10374-81-9- PubChem CID
- 12378417
- DTXSID
DTXSID201174701
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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