1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-
Basic information
- CAS
29681-96-7- Standard SMILES
CC(=O)CC(=O)c1ccc(C(C)C)cc1- InChIKey
PMOASHSDXBBUEX-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-
- IUPAC
- 1-(4-propan-2-ylphenyl)butane-1,3-dione
Names & synonyms
29681-96-71,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-1-[4-(propan-2-yl)phenyl]butane-1,3-dione1-(4-propan-2-ylphenyl)butane-1,3-dioneSCHEMBL11369541DTXSID30359311MFCD00479120AKOS0089677741-(4-isopropylphenyl)-1,3-butanedione1-(4-ISOPROPYLPHENYL)BUTANE-1,3-DIONE1-[4-(1-Methylethyl)phenyl]-1,3-butanedione1,3-Butanedione,1-[4-(1-methylethyl)phenyl]-
Show more names
EN300-1126227SR-01000268269SR-01000268269-1
Database identifiers
- CAS
29681-96-7- PubChem CID
- 957799
- DTXSID
DTXSID30359311
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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