Chemical ID: 5756310

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc4c(c3)OCO4
Chemical ID:
5756310
Name [?]:
[4-(3-benzo[1,3]dioxol-5-ylprop-2-enoyl)phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C24H18O5/c1-16-2-6-19(7-3-16)24(26)29-20-10-8-18(9-11-20)21(25)12-4-17-5-13-22-23(14-17)28-15-27-22/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,20,22,4,6,13,15,12,16,19,23,26,28,2,21,14,5,11,17,24,25,8,18,9,29,27,10/E:(2,3)(6,7)(8,9)(10,11)/rA:29nCCCCCCCCOOCCCCCCCOCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.8276
Area:616.511
Solvation:-4.58514
Coulombic:-46.7237
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:386.397
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.54
LogP (Chemaxon):5.39

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Descriptor Annotations

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