1,3-Propanediol, 2,2-diethyl-1-phenyl-
Basic information
- CAS
63834-79-7- Standard SMILES
CCC(CC)(CO)C(O)c1ccccc1- InChIKey
PGIQMCOLYCTABQ-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2,2-diethyl-1-phenyl-
- IUPAC
- 2,2-diethyl-1-phenylpropane-1,3-diol
- English name
- 1-Phenyl-2,2-diethyl-1,3-propanediol
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
1,3-Propanediol, 2,2-diethyl-1-phenyl-RefChem:105300163834-79-72,2-diethyl-1-phenylpropane-1,3-diolMC 23402,2-Diethyl-1-phenyl-1,3-propanediolBRN 32480031-Phenyl-2,2-diethyl-1,3-propanediolNCIOpen2_0041214-06-00-06062 (Beilstein Handbook Reference)1, 2,2-diethyl-1-phenyl-DTXSID701384943
Show more names
MC-2340
NSC71610NSC 71610NSC-71610DB-312306
Database identifiers
- CAS
63834-79-7- PubChem CID
- 98038
- DTXSID
DTXSID701384943- Nikkaji
- J90.896G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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