Basic information
- CAS
3600-64-4- Standard SMILES
CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
RKSBPFMNOJWYSB-UHFFFAOYSA-N- Molecular formula
- C17H20O2
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.14632988
Overview
3,3-Bis(4-hydroxyphenyl)pentane is a bisphenol.
Names & identifiers
- Preferred name
- 3,3-Bis(4-hydroxyphenyl)pentane
- IUPAC
- 4-[3-(4-hydroxyphenyl)pentan-3-yl]phenol
Names & synonyms
3,3-Bis(4-hydroxyphenyl)pentane3600-64-4DTXSID703677984,4'-(1-Ethylpropane-1,1,-diyl)diphenolRefChem:90769DTXCID203188364-[3-(4-hydroxyphenyl)pentan-3-yl]phenolPhenol, 4,4'-(1-ethylpropylidene)bis-CHEMBL1782331CHEBI:79719SCHEMBL2586493-bis(4-hydroxyphenyl)pentane
Show more names
3,3bis(4-hydroxyphenyl)pentane3,3-Bis(p-hydroxyphenyl)pentaneRKSBPFMNOJWYSB-UHFFFAOYSA-N4,4'-(Pentane-3,3-diyl)diphenolBDBM50001002NS00009708AB00120638-01Q15726083
Database identifiers
- CAS
3600-64-4- PubChem CID
- 2288503
- DTXSID
DTXSID70367798- ChEMBL
CHEMBL1782331- ChEBI
CHEBI:79719- Nikkaji
- J711.089H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
6 records
Compound notes
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