Bis(4-hydroxyphenyl)(2-(phenoxysulfonyl)phenyl)methane
Basic information
- CAS
115481-73-7- Standard SMILES
O=S(=O)(Oc1ccccc1)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
LQYZLQQJRLKQPQ-UHFFFAOYSA-N- Molecular formula
- C25H20O5S
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.10314491
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- Bis(4-hydroxyphenyl)(2-(phenoxysulfonyl)phenyl)methane
- IUPAC
- phenyl 2-[bis(4-hydroxyphenyl)methyl]benzenesulfonate
- English name
- bis(4-hydroxyphenyl)(2-(phenoxysulfonyl)phenyl)methane
- Molecular formula
- C25H20O5S
- Molecular weight
- 432.49
Names & synonyms
BHPMM115481-73-7Bis(4-hydroxyphenyl)(2-(phenoxysulfonyl)phenyl)methaneDTXSID50151112RefChem:120145DTXCID6073603CHEMBL59550SCHEMBL578954NS00003591bis(4-hydroxyphenyl)-[2-(phenoxysulfonyl)phenyl]methanePhenyl 2-[bis(4-hydroxyphenyl)methyl]benzene-1-sulfonateBenzenesulfonic acid, 2-(bis(4-hydroxyphenyl)methyl)-, phenyl ester
Show more names
Benzenesulfonic acid, 2-[bis(4-hydroxyphenyl)methyl]-, phenyl ester
Database identifiers
- CAS
115481-73-7- PubChem CID
- 130780
- DTXSID
DTXSID50151112- ChEMBL
CHEMBL59550
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 615
Physicochemical properties
- Boiling point
- 640.5 · 640.5±55.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.10(Predicted)
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Related reactions
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Compound notes
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