Cyclohexyl(2,4-dihydroxyphenyl)methanone
Basic information
- CAS
97231-21-5- Standard SMILES
O=C(c1ccc(O)cc1O)C1CCCCC1- InChIKey
WQRKAVYOYRBICK-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Cyclohexyl(2,4-dihydroxyphenyl)methanone
- IUPAC
- cyclohexyl-(2,4-dihydroxyphenyl)methanone
Names & synonyms
Cyclohexyl(2,4-dihydroxyphenyl)methanone97231-21-5DTXSID10872856RefChem:335709DTXCID90820416658-343-24-cyclohexylcarbonyl resorcinolSCHEMBL4610231WQRKAVYOYRBICK-UHFFFAOYSA-N2,4-dihydroxyphenyl cyclohexyl ketoneAKOS022856998ST50994053
Database identifiers
- CAS
97231-21-5- PubChem CID
- 3673514
- DTXSID
DTXSID10872856- EC Number
- 658-343-2
- Nikkaji
- J1.410.644H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
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, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
2 records
Compound notes
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