Basic information
- CAS
13565-37-2- Standard SMILES
Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1- InChIKey
DTEBZGKINVACPT-FMIVXFBMSA-N- Molecular formula
- C17H16O
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.12011513
Names & identifiers
- Preferred name
- (2E)-1,3-Bis(4-methylphenyl)-2-propen-1-one
- IUPAC
- (E)-1,3-bis(4-methylphenyl)prop-2-en-1-one
- English name
- 1,3-bis(4-methylphenyl)-2-propen-1-one
- Molecular formula
- C17H16O
- Molecular weight
- 236.30834
Names & synonyms
13565-37-2DTXSID601262479(2E)-1,3-Bis(4-methylphenyl)-2-propen-1-oneRefChem:1049747DTXCID8016931654,4'-Dimethylchalcone21551-47-3(2E)-1,3-bis(4-methylphenyl)prop-2-en-1-one(E)-1,3-bis(4-methylphenyl)prop-2-en-1-one(E)-1,3-di-p-tolylprop-2-en-1-one1,3-Di-p-tolylprop-2-en-1-one4,4//'-Dimethylchalcone
Show more names
MFCD000260101,3-bis(4-methylphenyl)prop-2-en-1-one1,3-bis(4-methylphenyl)-2-propen-1-oneNSC83488p,p'-Dimethylchalcone(E)-1,3-dip-tolylprop-2-en-1-oneChalcone,4'-dimethyl-1,3-di(4-methylphenyl)prop-2-en-1-one
Database identifiers
- CAS
13565-37-2、21551-47-3- PubChem CID
- 5357660
- DTXSID
DTXSID601262479- ChEMBL
CHEMBL252659- Nikkaji
- J2.623.332A、J480.554B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers3 total
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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