4,4'-(Butane-1,1-diyl)diphenol
Basic information
- CAS
4731-84-4- Standard SMILES
CCCC(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
GXDIDDARPBFKNG-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Overview
4,4'-(Butane-1,1-diyl)diphenol is a diarylmethane.
Names & identifiers
- Preferred name
- 4,4'-(Butane-1,1-diyl)diphenol
- IUPAC
- 4-[1-(4-hydroxyphenyl)butyl]phenol
- English name
- NSC17955
- Molecular formula
- C16H18O2
- Molecular weight
- 242.31292
Names & synonyms
4,4'-(Butane-1,1-diyl)diphenol4731-84-44-[1-(4-hydroxyphenyl)butyl]phenolphenol, 4,4'-butylidenebis-1,1-Bis(4-hydroxyphenyl)butane4,4'-butylidenediphenolSCHEMBL69257SCHEMBL536972SCHEMBL536973SCHEMBL5468058SCHEMBL8705936CHEBI:79589
Show more names
DTXSID20280701NSC17955NSC-17955NS00005953Q27148706
Database identifiers
- CAS
4731-84-4- PubChem CID
- 226965
- DTXSID
DTXSID20280701- ChEBI
CHEBI:79589- Nikkaji
- J802.081G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 137 °C · 137°C
- Boiling point
- 345.14 °C · 345.14°C (rough estimate)
- Density
- 1.0537 · 1.0537 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
Chemistry & industry
Additional notes
DefinitionChEBI: 4,4'-(Butane-1,1-diyl)diphenol is a diarylmethane.
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Related reactions
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Compound notes
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