1-(5-Ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone
Basic information
- CAS
302918-18-9- Standard SMILES
CCc1cc(C(=O)Cc2ccccc2C)c(O)cc1O- InChIKey
FLFCYPFBWBZDOD-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 1-(5-Ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone
- IUPAC
- 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone
- English name
- 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethan-1-one
- Molecular formula
- C17H18O3
- Molecular weight
- 270.32302
Names & synonyms
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanoneRefChem:426442302918-18-9652-018-9CHEMBL259384ZINC 00389056[36]Oprea1_349568Oprea1_634850BDBM50423502AKOS0036159361-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethan-1-one
Database identifiers
- CAS
302918-18-9- PubChem CID
- 4205337
- ChEMBL
CHEMBL259384- EC Number
- 652-018-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H319
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H319
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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