Chemical ID: 7039867

COc1ccc(cc1)C(=O)C=Cc2cccc(c2)OC(=O)c3ccc(c(c3)OC)OC
Chemical ID:
7039867
Name [?]:
[3-[3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenyl] 3,4-dimethoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)C=Cc2cccc(c2)OC(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C25H22O6/c1-28-20-11-8-18(9-12-20)22(26)13-7-17-5-4-6-21(15-17)31-25(27)19-10-14-23(29-2)24(16-19)30-3/h4-16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,29,15,14,16,12,5,7,23,4,8,11,24,18,27,13,6,22,3,17,9,25,26,20,10,21,2,30,28,19/E:(8,9)(11,12)/rA:31nCOCCCCCCCOCCCCCCCCOCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22O6
All Atoms:53
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.49736
Area:682.755
Solvation:-7.57152
Coulombic:-50.679
Bond Count [?]
All:33
Single:21
Double:12
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:418.439
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.83
LogP (Chemaxon):4.48

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Descriptor Annotations

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