Chemical ID: 7120899

CC(C)(c1ccccc1)c2ccc(cc2)OCc3ccc(o3)C(=O)[O-]
Chemical ID:
7120899
Name [?]:
5-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]furan-2-carboxylate
SMILES [?]:
CC(C)(c1ccccc1)c2ccc(cc2)OCc3ccc(o3)C(=O)[O-]
InChi [?]:
InChI=1/C21H20O4/c1-21(2,15-6-4-3-5-7-15)16-8-10-17(11-9-16)24-14-18-12-13-19(25-18)20(22)23/h3-13H,14H2,1-2H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,7,6,8,5,9,11,15,12,14,19,20,17,4,10,13,18,21,23,2,24,25,16,22/E:(1,2)(4,5)(6,7)(8,9)(10,11)(22,23)/rA:25nCCCCCCCCCCCCCCCOCCCCCOCOO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s19;d20;s18s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19O4-
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-33.6679
Area:560.828
Solvation:-47.6886
Coulombic:-18.1683
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:335.373
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):4.93

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Descriptor Annotations

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