Chemical ID: 7040006

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=CC(=O)c3cc(ccc3OC)OC
Chemical ID:
7040006
Name [?]:
[4-[3-(2,5-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=CC(=O)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C26H24O6/c1-17-5-9-19(10-6-17)26(28)32-24-13-8-18(15-25(24)31-4)7-12-22(27)21-16-20(29-2)11-14-23(21)30-3/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,30,18,3,7,19,13,4,6,26,20,12,27,15,24,2,14,5,25,23,21,28,11,16,8,22,9,31,29,17,10/E:(5,6)(9,10)/rA:32nCCCCCCCCOOCCCCCCOCCCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;w19;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s29;s25;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24O6
All Atoms:56
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:9.83046
Area:691.88
Solvation:-7.46655
Coulombic:-50.5053
Bond Count [?]
All:34
Single:22
Double:12
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:432.465
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.26
LogP (Chemaxon):4.95

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Experimental Annotations

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Descriptor Annotations

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