1H-Indene-1,3(2H)-dione, 2-[3-(1-methylethyl)phe
Basic information
- CAS
13935-94-9- Standard SMILES
CC(C)c1cccc(C2C(=O)c3ccccc3C2=O)c1- InChIKey
UFBMMRFQEZDMOM-UHFFFAOYSA-N- Molecular formula
- C18H16O2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.11502975
Names & identifiers
- Preferred name
- 1H-Indene-1,3(2H)-dione, 2-[3-(1-methylethyl)phe
- IUPAC
- 2-(3-propan-2-ylphenyl)indene-1,3-dione
Names & synonyms
DTXSID0087826613935-94-92-[3-(Propan-2-yl)phenyl]-1H-indene-1,3(2H)-dione1H-INDENE-1,3(2H)-DIONE, 2-[3-(1-METHYLETHYL)PHE
Database identifiers
- CAS
13935-94-9- PubChem CID
- 4134070
- DTXSID
DTXSID00878266- Nikkaji
- J1.575.251C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
LogP4.43
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Compound notes
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