Basic information
- CAS
96644-03-0- Standard SMILES
CCc1cc(C(=O)Cc2ccc(OC)cc2)c(O)cc1O- InChIKey
GWWHYRTVXNSDII-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- 1-(5-Ethyl-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
- IUPAC
- 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
Names & synonyms
96644-03-01-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanoneCHEMBL39089711-(5-ethyl-2,4-dihydroxy-phenyl)-2-(4-methoxyphenyl)ethanone1-(5-Ethyl-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethan-1-oneOprea1_311633SCHEMBL3081015DTXSID50354126GWWHYRTVXNSDII-UHFFFAOYSA-NBDBM50206884AKOS030489617AE-848/12559006
Show more names
SR-01000417116SR-01000417116-1Z56777597
Database identifiers
- CAS
96644-03-0- PubChem CID
- 764005
- DTXSID
DTXSID50354126- ChEMBL
CHEMBL3908971
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Related reactions
2 records
Compound notes
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