4-(3-{[2-(4-Ethoxyphenyl)-2-methylpropoxy]methyl}phenoxy)phenol
Basic information
- CAS
162965-64-2- Standard SMILES
CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccc(O)cc3)c2)cc1- InChIKey
JQAKDUCEDLOCLP-UHFFFAOYSA-N- Molecular formula
- C25H28O4
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.19875937
Names & identifiers
- Preferred name
- 4-(3-{[2-(4-Ethoxyphenyl)-2-methylpropoxy]methyl}phenoxy)phenol
- IUPAC
- 4-[3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenoxy]phenol
Names & synonyms
4-OHSCHEMBL7518876DTXSID501028715NS000673204-(3-{[2-(4-Ethoxyphenyl)-2-methylpropoxy]methyl}phenoxy)phenol162965-64-2
Database identifiers
- CAS
162965-64-2- PubChem CID
- 19972045
- DTXSID
DTXSID501028715
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
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Related reactions
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Compound notes
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