Chemical ID: 4183329

COc1ccc(cc1OC)C(=Cc2cccc(c2)O)C#N
Chemical ID:
4183329
Name [?]:
2-(3,4-dimethoxyphenyl)-3-(3-hydroxyphenyl)-prop-2-enenitrile
SMILES [?]:
COc1ccc(cc1OC)C(=Cc2cccc(c2)O)C#N
InChi [?]:
InChI=1/C17H15NO3/c1-20-16-7-6-13(10-17(16)21-2)14(11-18)8-12-4-3-5-15(19)9-12/h3-10,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,15,14,16,5,4,12,18,7,20,13,6,11,17,3,8,21,19,2,9/rA:21nCOCCCCCCOCCCCCCCCCOCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s15;d16;d13s17;s17;s11;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.2572
Area:478.48
Solvation:-5.70479
Coulombic:-34.6416
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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Descriptor Annotations

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