Chemical ID: 4531113

CCOc1cc(ccc1OCCOc2cccc(c2)C)C=C(C#N)c3ccccc3
Chemical ID:
4531113
Name [?]:
3-[3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenyl-prop-2-enenitrile
SMILES [?]:
CCOc1cc(ccc1OCCOc2cccc(c2)C)C=C(C#N)c3ccccc3
InChi [?]:
InChI=1/C26H25NO3/c1-3-28-26-18-21(17-23(19-27)22-9-5-4-6-10-22)12-13-25(26)30-15-14-29-24-11-7-8-20(2)16-24/h4-13,16-18H,3,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,28,27,29,16,17,26,30,15,7,8,12,11,19,21,5,23,18,6,25,22,14,9,4,24,3,13,10/E:(5,6)(9,10)/rA:30nCCOCCCCCCOCCOCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s6;w21;s22;t23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25NO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.1992
Area:680.164
Solvation:-6.80494
Coulombic:-28.1248
Bond Count [?]
All:32
Single:21
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:399.482
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.89
LogP (Chemaxon):5.91

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