Chemical ID: 7039868

COc1ccc(cc1OC)C(=O)Oc2ccc(cc2OC)C=CC(=O)c3ccccc3
Chemical ID:
7039868
Name [?]:
[2-methoxy-4-(3-oxo-3-phenyl-prop-1-enyl)-phenyl] 3,4-dimethoxybenzoate
SMILES [?]:
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2OC)C=CC(=O)c3ccccc3
InChi [?]:
InChI=1/C25H22O6/c1-28-21-14-11-19(16-24(21)30-3)25(27)31-22-13-10-17(15-23(22)29-2)9-12-20(26)18-7-5-4-6-8-18/h4-16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,10,29,28,30,27,31,22,16,5,23,15,4,18,7,17,26,6,24,3,14,19,8,11,25,12,2,20,9,13/E:(5,6)(7,8)/rA:31nCOCCCCCCOCCOOCCCCCCOCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;w22;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22O6
All Atoms:53
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.48689
Area:675.898
Solvation:-7.41055
Coulombic:-51.8794
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:4.56
LogP (Chemaxon):4.48

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Descriptor Annotations

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