Basic information
- CAS
5464-86-8- Standard SMILES
OCC(CO)(c1ccccc1)c1ccccc1- InChIKey
NDYJEAUUNHDJMC-UHFFFAOYSA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Names & identifiers
- Preferred name
- 2,2-Diphenylpropane-1,3-diol
- IUPAC
- 2,2-diphenylpropane-1,3-diol
- English name
- 2,2-Diphenyl-1,3-propanediol
- Molecular formula
- C15H16O2
- Molecular weight
- 228.29
Names & synonyms
2,2-diphenylpropane-1,3-diol5464-86-8DTXSID40328457RefChem:1059149DTXCID102795632,2-Diphenyl-1,3-propanediolNSC28824SCHEMBL561220SCHEMBL4277962NDYJEAUUNHDJMC-UHFFFAOYSA-2,2-diphenyl-propane-1,3-diol2,2-di(phenyl)propane-1,3-diol
Show more names
1,3-Propanediol, 2,2-diphenyl-
MFCD00021975NSC-28824DA-04990SY566557InChI=1/C15H16O2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
Database identifiers
- CAS
5464-86-8- PubChem CID
- 410445
- DTXSID
DTXSID40328457- Nikkaji
- J149.986F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 102 · 102-104 °C
- Boiling point
- 414.2 · 414.2±40.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- 13.92 · 13.92±0.10(Predicted)
Chemistry & industry
Suppliers6 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
7 records
Compound notes
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