CID 39384410
PubChem CID
39384410
Structure
Molecular Formula
Status
Non-live
Molecular Weight
283.3 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-[3-(4-tert-butylphenyl)phenoxy]acetate
InChI=1S/C18H20O3/c1-18(2,3)15-9-7-13(8-10-15)14-5-4-6-16(11-14)21-12-17(19)20/h4-11H,12H2,1-3H3,(H,19,20)/p-1
ZDMFKBFVFCHYMJ-UHFFFAOYSA-M
CC(C)(C)C1=CC=C(C=C1)C2=CC(=CC=C2)OCC(=O)[O-]
C18H19O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
283.3 g/mol
Property Name
XLogP3
Property Value
5.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
283.133419464 g/mol
Property Name
Monoisotopic Mass
Property Value
283.133419464 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
331
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS