Chemical ID: 5572811

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc4c(c3)OCO4
Chemical ID:
5572811
Name [?]:
[4-(3-benzo[1,3]dioxol-5-ylprop-2-enoyl)phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C24H18O6/c1-27-19-8-6-18(7-9-19)24(26)30-20-10-4-17(5-11-20)21(25)12-2-16-3-13-22-23(14-16)29-15-28-22/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,23,14,16,5,7,4,8,13,17,20,24,27,29,22,15,6,3,12,18,25,26,9,19,10,2,30,28,11/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCOCCCCCCCOOCCCCCCCOCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;w20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18O6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.72986
Area:627.595
Solvation:-5.96002
Coulombic:-52.9181
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:402.396
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.02
LogP (Chemaxon):4.67

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Descriptor Annotations

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