Chemical ID: 6572190

COc1cc(ccc1OCc2ccccc2)C=C(C#N)c3ccc(cc3)Cl
Chemical ID:
6572190
Name [?]:
3-(4-benzyloxy-3-methoxy-phenyl)-2-(4-chlorophenyl)-prop-2-enenitrile
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C=C(C#N)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H18ClNO2/c1-26-23-14-18(13-20(15-25)19-8-10-21(24)11-9-19)7-12-22(23)27-16-17-5-3-2-4-6-17/h2-14H,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,6,22,26,23,25,7,17,4,19,10,11,5,21,18,24,8,3,27,20,2,9/E:(3,4)(5,6)(8,9)(10,11)/rA:27nCOCCCCCCOCCCCCCCCCCNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;w17;s18;t19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18ClNO2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3454
Area:624.604
Solvation:-5.26976
Coulombic:-21.8501
Bond Count [?]
All:29
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:375.847
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.77
LogP (Chemaxon):5.77

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Descriptor Annotations

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