Basic information
- CAS
4448-72-0- Standard SMILES
O=C(O)C(CO)(c1ccccc1)c1ccccc1- InChIKey
XENQGGFBIYOFES-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Overview
3-hydroxy-2,2-diphenylpropanoic acid is a diarylmethane.
Names & identifiers
- Preferred name
- 3-Hydroxy-2,2-diphenylpropionic acid
- IUPAC
- 3-hydroxy-2,2-diphenylpropanoic acid
- English name
- 3-hydroxy-2,2-diphenylpropionic acid
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
3-Hydroxy-2,2-diphenylpropionic acid4448-72-02XN606Z8DIEINECS 224-689-4NSC-16302.ALPHA.-PHENYLTROPIC ACIDDTXSID70196186NSC 16302.ALPHA.-(HYDROXYMETHYL)-.ALPHA.-PHENYLBENZENEACETIC ACIDBENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-.ALPHA.-PHENYL-RefChem:94093ALPHA-PHENYLTROPIC ACID
Show more names
α-Hydroxymethyl-α-phenylbenzeneacetic acidBenzeneacetic acid, α-(hydroxymethyl)-α-phenyl-
DTXCID80118677ALPHA-(HYDROXYMETHYL)-ALPHA-PHENYLBENZENEACETIC ACIDBENZENEACETIC ACID, ALPHA-(HYDROXYMETHYL)-ALPHA-PHENYL-224-689-43-hydroxy-2,2-diphenylpropanoic acidNSC163023-hydroxy-2,2-diphenyl-propionic acidBenzeneacetic acid, a-(hydroxymethyl)-a-phenyl-
Database identifiers
- CAS
4448-72-0- PubChem CID
- 78192
- DTXSID
DTXSID70196186- ChEMBL
CHEMBL1889262- ChEBI
CHEBI:109767- UNII
- 2XN606Z8DI
- EC Number
- 224-689-4
- Nikkaji
- J205.836G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 167 · 167-168 °C
- Boiling point
- 344.2 · 344.2±21.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 4.09 · 4.09±0.10(Predicted)
- FDA UNII
- 2 XN606Z8DI · 2XN606Z8DI
Chemistry & industry
Additional notes
DefinitionChEBI: 3-hydroxy-2,2-diphenylpropanoic acid is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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