Chemical ID: 7040233

COc1cc(cc(c1OC)OC)C(=O)Oc2cccc(c2)C=CC(=O)c3ccc(cc3)Cl
Chemical ID:
7040233
Name [?]:
[3-[3-(4-chlorophenyl)-3-oxo-prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Oc2cccc(c2)C=CC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C25H21ClO6/c1-29-22-14-18(15-23(30-2)24(22)31-3)25(28)32-20-6-4-5-16(13-20)7-12-21(27)17-8-10-19(26)11-9-17/h4-15H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,18,19,17,22,27,31,28,30,23,21,4,6,20,26,5,29,16,24,3,7,8,13,32,25,14,2,11,9,15/E:(1,2)(8,9)(10,11)(14,15)(22,23)(29,30)/rA:32nCOCCCCCCOCOCCOOCCCCCCCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;w22;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21ClO6
All Atoms:53
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.5363
Area:712.972
Solvation:-7.28805
Coulombic:-51.5129
Bond Count [?]
All:34
Single:22
Double:12
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:452.883
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.32
LogP (Chemaxon):5.0

Name Annotations

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Descriptor Annotations

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