Chemical ID: 7040286

COc1ccccc1C(=O)Oc2ccc(cc2OC)C=CC(=O)c3ccc(cc3)c4ccccc4
Chemical ID:
7040286
Name [?]:
[2-methoxy-4-[3-oxo-3-(4-phenylphenyl)-prop-1-enyl]-phenyl] 2-methoxybenzoate
SMILES [?]:
COc1ccccc1C(=O)Oc2ccc(cc2OC)C=CC(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H24O5/c1-33-27-11-7-6-10-25(27)30(32)35-28-19-13-21(20-29(28)34-2)12-18-26(31)24-16-14-23(15-17-24)22-8-4-3-5-9-22/h3-20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,33,32,34,6,5,31,35,7,4,20,14,26,28,25,29,21,13,16,15,30,27,24,8,22,3,12,17,9,23,10,2,18,11/E:(4,5)(8,9)(14,15)(16,17)/rA:35nCOCCCCCCCOOCCCCCCOCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H24O5
All Atoms:59
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.2372
Area:734.163
Solvation:-6.1169
Coulombic:-46.9979
Bond Count [?]
All:38
Single:23
Double:15
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:464.509
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.85
LogP (Chemaxon):6.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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