CID 42178809
PubChem CID
42178809
Structure
Molecular Formula
Status
Non-live
Molecular Weight
377.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(Z)-3-[3-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoate
InChI=1S/C23H19FO4/c1-27-19-11-9-17(10-12-19)21(23(25)26)14-16-5-4-7-20(13-16)28-15-18-6-2-3-8-22(18)24/h2-14H,15H2,1H3,(H,25,26)/p-1/b21-14-
CGYJIKUKSHPKNX-STZFKDTASA-M
COC1=CC=C(C=C1)/C(=C/C2=CC(=CC=C2)OCC3=CC=CC=C3F)/C(=O)[O-]
C23H18FO4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
377.4 g/mol
Property Name
XLogP3-AA
Property Value
5.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
377.11891221 g/mol
Property Name
Monoisotopic Mass
Property Value
377.11891221 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.6 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
521
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
1
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