CID 44886128
PubChem CID
44886128
Structure
Molecular Formula
Status
Non-live
Molecular Weight
450.5 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(4-phenylmethoxyphenyl)prop-2-en-1-one
InChI=1S/C30H26O4/c1-32-30-20-23(13-19-29(30)34-22-25-10-6-3-7-11-25)12-18-28(31)26-14-16-27(17-15-26)33-21-24-8-4-2-5-9-24/h2-20H,21-22H2,1H3/b18-12+
QKKLQCLUHBNNED-LDADJPATSA-N
COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
C30H26O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
450.5 g/mol
Property Name
XLogP3-AA
Property Value
6.6
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
10
Property Name
Exact Mass
Property Value
450.18310931 g/mol
Property Name
Monoisotopic Mass
Property Value
450.18310931 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.8 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
611
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