2-Phenyl-1,2-propanediol
Product Information
Molecular Formula
C9H12O2
Molecular Weight
152.19
Description
2-phenyl-1,2-propanediol is a glycol that is cumene carrying two hydroxy substituents at positions 1 and 2 It is a glycol and a member of benzenes. It derives from a hydride of a cumene.
Synonyms
2-Phenyl-1,2-propanediol; 2-phenylpropane-1,2-diol; 4217-66-7; 1,2-Propanediol,2-phenyl-; 2-phenyl-propane-1,2-diol; dl-2-Phenyl-1,2-propanediol
IUPAC Name
2-phenylpropane-1,2-diol
SMILES
CC(CO)(C1=CC=CC=C1)O
InChI
InChI=1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3
InChI Key
LNCZPZFNQQFXPT-UHFFFAOYSA-N
Boiling Point
160-162°C (26 mmHg)
Melting Point
44-45°C
Flash Point
Not applicable
Purity
95%
Density
1.13g/cm3
Computed Properties
XLogP3
0.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
152.083729621 g/mol
Monoisotopic Mass
152.083729621 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
119
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
