Chemical ID: 5527054

CCCCOc1ccc(cc1OC)C=C(C#N)c2ccccc2
Chemical ID:
5527054
Name [?]:
3-(4-butoxy-3-methoxy-phenyl)-2-phenyl-prop-2-enenitrile
SMILES [?]:
CCCCOc1ccc(cc1OC)C=C(C#N)c2ccccc2
InChi [?]:
InChI=1/C20H21NO2/c1-3-4-12-23-19-11-10-16(14-20(19)22-2)13-18(15-21)17-8-6-5-7-9-17/h5-11,13-14H,3-4,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,3,21,20,22,19,23,8,7,4,14,10,16,9,18,15,6,11,17,12,5/E:(6,7)(8,9)/rA:23nCCCCOCCCCCCOCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;w14;s15;t16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.23113
Area:555.379
Solvation:-4.65336
Coulombic:-20.9465
Bond Count [?]
All:24
Single:16
Double:7
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:307.386
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.79
LogP (Chemaxon):4.69

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