Basic information
- CAS
302918-17-8- Standard SMILES
Cc1ccccc1CC(=O)c1ccc(O)c(C)c1O- InChIKey
KWMBRYDKQLGWFA-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- 1-(2,4-Dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone
- IUPAC
- 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone
- English name
- 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethan-1-one
- Molecular formula
- C16H16O3
- Molecular weight
- 256.29644
Names & synonyms
302918-17-81-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanoneRefChem:420495652-019-4WYE-176235-10mMinDMSO,,1-(2,4-Dihydroxy-3-methylphenyl)-2-(o-tolyl)ethanoneCambridge id 6673619Oprea1_043883Oprea1_550908MLS000689961CHEMBL1389342HMS2662O20
Show more names
1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethan-1-one
AKOS001034838WYE-176235SMR000298687AB00115434-01SR-01000443982SR-01000443982-1Z56802476
Database identifiers
- CAS
302918-17-8- PubChem CID
- 764765
- ChEMBL
CHEMBL1389342- EC Number
- 652-019-4
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers1 total
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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