Basic information
- CAS
120666-35-5- Standard SMILES
COC(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)cc1- InChIKey
LWCRGAVQIHCIDM-UHFFFAOYSA-N- Molecular formula
- C17H18O5
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.11542367
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl
- IUPAC
- methyl 4-(2,3,4-trimethoxyphenyl)benzoate
- English name
- 2,3,4-trimethoxy-4'-carbomethoxy-1,1'-biphenyl
- Molecular formula
- C17H18O5
- Molecular weight
- 302.32
Names & synonyms
120666-35-52,3,4-Tcb2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenylDTXSID60152958RefChem:81326DTXCID0075449Methyl 2',3',4'-trimethoxy-(1,1'-biphenyl)-4-carboxylateSCHEMBL6773146SCHEMBL298684992,3,4-Trimethoxy-4'-(carbomethoxy)-1,1'-biphenylMethyl 2',3',4'-trimethoxy[1,1'-biphenyl]-4-carboxylate(1,1'-Biphenyl)-4-carboxylic acid, 2',3',4'-trimethoxy-, methyl ester
Show more names
[1,1'-Biphenyl]-4-carboxylic acid, 2',3',4'-trimethoxy-, methyl ester
Database identifiers
- CAS
120666-35-5- PubChem CID
- 129239
- DTXSID
DTXSID60152958- Nikkaji
- J721.140F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 351
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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