Chemical ID: 4740908

COc1ccc(cc1OC)C=C(C#N)c2ccc(cc2)O
Chemical ID:
4740908
Name [?]:
3-(3,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)-prop-2-enenitrile
SMILES [?]:
COc1ccc(cc1OC)C=C(C#N)c2ccc(cc2)O
InChi [?]:
InChI=1/C17H15NO3/c1-20-16-8-3-12(10-17(16)21-2)9-14(11-18)13-4-6-15(19)7-5-13/h3-10,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,16,20,17,19,4,11,7,13,6,15,12,18,3,8,14,21,2,9/E:(4,5)(6,7)/rA:21nCOCCCCCCOCCCCNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;t13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.42491
Area:490.783
Solvation:-5.84467
Coulombic:-34.6201
Bond Count [?]
All:22
Single:14
Double:7
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:281.306
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.03
LogP (Chemaxon):3.2

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