2,3-Dibenzylbutane-1,4-diol
Basic information
- CAS
101787-58-0- Standard SMILES
OCC(Cc1ccccc1)C(CO)Cc1ccccc1- InChIKey
OWUUJFPCWLFCIT-UHFFFAOYSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2,3-Dibenzylbutane-1,4-diol
- IUPAC
- 2,3-dibenzylbutane-1,4-diol
- English name
- 2,3-dibenzylbutane-1,4-diol
- Molecular formula
- C18H22O2
- Molecular weight
- 270.37
Names & synonyms
2,3-Dibenzylbutane-1,4-diolHattalin101787-58-02,3-DbbDTXSID60906635RefChem:81551DTXCID601335731SCHEMBL103386511,4-Butanediol, 2,3-dibenzyl-1,4-Butanediol, 2,3-bis(phenylmethyl)-
Database identifiers
- CAS
101787-58-0- PubChem CID
- 124606
- DTXSID
DTXSID60906635- Nikkaji
- J260.240G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 451.9 · 451.9±45.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 14.6 · 14.60±0.10(Predicted)
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Related reactions
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Compound notes
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