Basic information
- CAS
14007-30-8- Standard SMILES
CC(CCCCc1ccc(O)cc1)c1ccc(O)cc1- InChIKey
XUKUIOSAILSDSP-UHFFFAOYSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Names & identifiers
- Preferred name
- 4,4'-(1-Methylpentylidene)bisphenol
- IUPAC
- 4-[5-(4-hydroxyphenyl)hexyl]phenol
Names & synonyms
4,4'-(1-Methylpentylidene)bisphenolEINECS 237-812-1DTXSID90897360RefChem:96179DTXCID501326723237-812-114007-30-8SCHEMBL26797254,4'-(Hexane-1,5-diyl)diphenolNS00093651
Database identifiers
- CAS
14007-30-8- PubChem CID
- 85669
- DTXSID
DTXSID90897360- EC Number
- 237-812-1
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 250
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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