Chemical ID: 7040135

COc1ccc(c(c1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)C=Cc3ccccc3)OC
Chemical ID:
7040135
Name [?]:
[4-[3-(2,5-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-phenylprop-2-enoate
SMILES [?]:
COc1ccc(c(c1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)C=Cc3ccccc3)OC
InChi [?]:
InChI=1/C27H24O6/c1-30-21-12-15-24(31-2)22(18-21)23(28)13-9-20-10-14-25(26(17-20)32-3)33-27(29)16-11-19-7-5-4-6-8-19/h4-18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,20,29,28,30,27,31,12,14,25,4,11,15,5,24,18,8,26,13,3,7,9,6,16,17,22,10,23,2,32,19,21/E:(5,6)(7,8)/rA:33nCOCCCCCCCOCCCCCCCCOCOCOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;d22;s22;w24;s25;s26;d27;s28;d29;d26s30;s6;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24O6
All Atoms:57
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.95176
Area:715.963
Solvation:-7.94731
Coulombic:-50.0764
Bond Count [?]
All:35
Single:22
Double:13
Rotors:10
Chiral:2
Rigid Segments:10
Chemical Properties
Molecular Weight:444.476
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.1
LogP (Chemaxon):5.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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