Chemical ID: 4241323

COC(=O)c1ccc(cc1)OCCOc2ccc(cc2)C(=O)OC
Chemical ID:
4241323
Name [?]:
methyl 4-[2-(4-methoxycarbonylphenoxy)ethoxy]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)OCCOc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C18H18O6/c1-21-17(19)13-3-7-15(8-4-13)23-11-12-24-16-9-5-14(6-10-16)18(20)22-2/h3-10H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,6,10,17,19,7,9,16,20,12,13,5,18,8,15,3,21,4,22,2,23,11,14/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)/rA:24nCOCOCCCCCCOCCOCCCCCCCOOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.58337
Area:570.857
Solvation:-5.68806
Coulombic:-54.4478
Bond Count [?]
All:25
Single:17
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:330.332
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.27
LogP (Chemaxon):2.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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