Chemical ID: 4517374

COc1cccc(c1)C(=O)Oc2ccc(cc2)OC(=O)c3cccc(c3)OC
Chemical ID:
4517374
Name [?]:
[4-(3-methoxybenzoyl)oxyphenyl] 3-methoxybenzoate
SMILES [?]:
COc1cccc(c1)C(=O)Oc2ccc(cc2)OC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C22H18O6/c1-25-19-7-3-5-15(13-19)21(23)27-17-9-11-18(12-10-17)28-22(24)16-6-4-8-20(14-16)26-2/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,5,23,6,22,4,24,13,17,14,16,8,26,7,21,12,15,3,25,9,19,10,20,2,27,11,18/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/rA:28nCOCCCCCCCOOCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4115
Area:618.053
Solvation:-5.03985
Coulombic:-54.7675
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:378.375
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.86
LogP (Chemaxon):4.0

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Descriptor Annotations

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