Basic information
- CAS
175153-24-9- Standard SMILES
COc1cc(C(=O)O)ccc1-c1ccccc1C- InChIKey
SYXIYNJPTBGTNT-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 3-Methoxy-4-(2-methylphenyl)benzoic acid
- IUPAC
- 3-methoxy-4-(2-methylphenyl)benzoic acid
- English name
- [1,1'-Biphenyl]-4-carboxylic acid, 2-methoxy-2'-methyl-
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
175153-24-93-METHOXY-4-(2-METHYLPHENYL)BENZOIC ACIDMFCD18318916[1,1'-Biphenyl]-4-carboxylic acid, 2-methoxy-2'-methyl-2-METHOXY-2'-METHYL-[1,1'-BIPHENYL]-4-CARBOXYLIC ACIDSCHEMBL2773418DTXSID60592390SYXIYNJPTBGTNT-UHFFFAOYSA-N3-methoxy-4-(o-tolyl)benzoic acid2-methoxy-2'-methylbiphenyl-4-carboxylic acidH765372-Methoxy-2'-methyl-biphenyl-4-carboxylic acid
Show more names
3-Methoxy-4-(2-methylphenyl)benzoic acid, 95%2-methoxy-2'-methyl-1,1'-biphenyl-4-carboxylic acid2-Methoxy-2'-methyl[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
175153-24-9- PubChem CID
- 18001076
- DTXSID
DTXSID60592390
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 365.9 · 365.9±30.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
13 records
Compound notes
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