Chemical ID: 7529176

Cc1cccc(c1)COc2ccc(cc2OC)C#N
Chemical ID:
7529176
Name [?]:
3-methoxy-4-(m-tolylmethoxy)benzonitrile
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2OC)C#N
InChi [?]:
InChI=1/C16H15NO2/c1-12-4-3-5-14(8-12)11-19-15-7-6-13(10-17)9-16(15)18-2/h3-9H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,4,3,5,12,11,7,14,18,8,2,13,6,10,15,19,16,9/rA:19nCCCCCCCCOCCCCCCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO2
All Atoms:34
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:6.927
Area:469.778
Solvation:-4.81744
Coulombic:-18.7352
Bond Count [?]
All:20
Single:13
Double:6
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.45
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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