3-[(4-Methylphenyl)methylidene]pentane-2,4-dione

HCID 334673

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 15818-09-4
Standard SMILES: CC(=O)C(=Cc1ccc(C)cc1)C(C)=O
InChIKey: MWWKEDDFUHGKIP-UHFFFAOYSA-N
Molecular formula: C13H14O2
Average molar mass: 202.25 g/mol
Monoisotopic mass: 202.09937969

Names & identifiers

Preferred name: 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione
IUPAC: 3-[(4-methylphenyl)methylidene]pentane-2,4-dione

Names & synonyms

15818-09-43-[(4-methylphenyl)methylidene]pentane-2,4-dioneNSC340540SCHEMBL10350417DTXSID90319153NSC-340540DS-0036432,4-Pentanedione,3-[(4-methylphenyl)methylene]-

Database identifiers

CAS: 15818-09-4
PubChem CID: 334673
DTXSID: DTXSID90319153
Nikkaji: J274.456B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 265

Experimental & physicochemical properties

LogP2.14

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…