CID 96024013
PubChem CID
96024013
Structure
Molecular Formula
Status
Non-live
Molecular Weight
279.4 g/mol
Dates
- Create:2015-12-11
Chemical Structure Depiction
2-[(E)-2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethenyl]phenol
InChI=1S/C19H21NO/c1-13-11-16-9-10-20-18(17(16)12-14(13)2)8-7-15-5-3-4-6-19(15)21/h3-8,11-12,18,20-21H,9-10H2,1-2H3/b8-7+/t18-/m0/s1
SNJMWYPJYKHRQG-DVBCCOPCSA-N
CC1=CC2=C(C=C1C)[C@@H](NCC2)/C=C/C3=CC=CC=C3O
C19H21NO
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
279.4 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
279.162314293 g/mol
Property Name
Monoisotopic Mass
Property Value
279.162314293 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.3 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
367
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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