Chemical ID: 7039262

COc1cc(ccc1OC(=O)c2ccccc2)C=CC(=O)c3ccccc3
Chemical ID:
7039262
Name [?]:
[2-methoxy-4-(3-oxo-3-phenyl-prop-1-enyl)-phenyl] benzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2)C=CC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H18O4/c1-26-22-16-17(12-14-20(24)18-8-4-2-5-9-18)13-15-21(22)27-23(25)19-10-6-3-7-11-19/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,15,24,26,14,16,23,27,13,17,18,6,19,7,4,5,22,12,20,8,3,10,21,11,2,9/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCOCCCCCCOCOCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s5;w18;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O4
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0212
Area:602.45
Solvation:-4.04009
Coulombic:-39.9485
Bond Count [?]
All:29
Single:17
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:358.387
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.0
LogP (Chemaxon):4.99

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