Basic information
- CAS
50439-07-1- Standard SMILES
CCC(C(=O)c1cc(C)c(O)c(C(=O)O)c1)c1ccccc1- InChIKey
GQUAGNLRQXBIPW-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid
- IUPAC
- 2-hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid
- English name
- 2-Hydroxy-3-methyl-5-(2-phenylbutyryl)benzoic acid
- Molecular formula
- C18H18O4
- Molecular weight
- 298.33
Names & synonyms
2-hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid50439-07-1DTXSID90964682RefChem:1063366DTXCID3013923722-Hydroxy-3-methyl-5-(2-phenylbutyryl)benzoic acidF 1242BRN 27542885-(2-Phenylbutyryl)-2,3-cresotic acidAcide (alpha ethyl phenacetyl)-5 orthocresotinique [French]Benzoic acid, 2-hydroxy-3-methyl-5-(1-oxo-2-phenylbutyl)-2,3-CRESOTIC ACID, 5-(2-PHENYLBUTYRYL)-
Show more names
F-1242
Acide (alpha ethyl phenacetyl)-5 orthocresotiniqueDB-261206
Database identifiers
- CAS
50439-07-1- PubChem CID
- 39668
- DTXSID
DTXSID90964682- Nikkaji
- J67.721C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Chemistry & industry
Suppliers1 total
圣莱科特国际集团[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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