Basic information
- CAS
6807-18-7- Standard SMILES
CC(CCCCCCCc1ccc(O)cc1)c1ccc(O)cc1- InChIKey
YNYHFUGZYQQPGL-UHFFFAOYSA-N- Molecular formula
- C21H28O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.20893013
Names & identifiers
- Preferred name
- 4,4'-(1-Methyloctylidene)bisphenol
- IUPAC
- 4-[8-(4-hydroxyphenyl)nonyl]phenol
Names & synonyms
EINECS 229-882-74,4'-(1-Methyloctylidene)bisphenolDTXSID10897382RefChem:96178DTXCID101326733229-882-76807-18-74,4'-(Nonane-1,8-diyl)diphenol
Database identifiers
- CAS
6807-18-7- PubChem CID
- 110925
- DTXSID
DTXSID10897382- EC Number
- 229-882-7
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 288
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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