CID 42208064
PubChem CID
42208064
Structure
Molecular Formula
Status
Non-live
Molecular Weight
393.8 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(Z)-3-[3-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoate
InChI=1S/C23H19ClO4/c1-27-20-10-8-18(9-11-20)22(23(25)26)14-16-4-3-7-21(13-16)28-15-17-5-2-6-19(24)12-17/h2-14H,15H2,1H3,(H,25,26)/p-1/b22-14-
RSDLIEDMRHHNIY-HMAPJEAMSA-M
COC1=CC=C(C=C1)/C(=C/C2=CC(=CC=C2)OCC3=CC(=CC=C3)Cl)/C(=O)[O-]
C23H18ClO4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
393.8 g/mol
Property Name
XLogP3-AA
Property Value
6.2
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
393.0893617 g/mol
Property Name
Monoisotopic Mass
Property Value
393.0893617 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