Basic information
- CAS
3373-03-3- Standard SMILES
Oc1ccc(CCCCCCCc2ccc(O)cc2)cc1- InChIKey
ISEZIKPQCNGTNC-UHFFFAOYSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763
Names & identifiers
- Preferred name
- 4,4'-Heptylidenebisphenol
- IUPAC
- 4-[7-(4-hydroxyphenyl)heptyl]phenol
Names & synonyms
4,4'-HeptylidenebisphenolEINECS 222-155-53373-03-3DTXSID70897388RefChem:96291DTXCID901326737222-155-5SCHEMBL9165397ISEZIKPQCNGTNC-UHFFFAOYSA-N1,7-bis-(4-hydroxyphenyl)-heptane4,4'-(Heptane-1,7-diyl)diphenolNS00093655
Database identifiers
- CAS
3373-03-3- PubChem CID
- 76898
- DTXSID
DTXSID70897388- EC Number
- 222-155-5
- Nikkaji
- J1.416.885K
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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