Chemical ID: 7039260

COc1cccc(c1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccccc3
Chemical ID:
7039260
Name [?]:
[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] benzoate
SMILES [?]:
COc1cccc(c1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H18O4/c1-26-21-9-5-6-17(16-21)10-15-22(24)18-11-13-20(14-12-18)27-23(25)19-7-3-2-4-8-19/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,5,6,23,27,4,9,14,18,15,17,10,8,7,13,22,16,3,11,20,12,21,2,19/E:(3,4)(7,8)(11,12)(13,14)/rA:27nCOCCCCCCCCCOCCCCCCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;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:11.048
Area:611.42
Solvation:-4.23755
Coulombic:-38.7308
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:5.26
LogP (Chemaxon):4.99

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