Chemical ID: 6740774

CCOc1ccc(cc1)OCc2cccc(c2)C(=O)[O-]
Chemical ID:
6740774
Name [?]:
3-[(4-ethoxyphenoxy)methyl]benzoate
SMILES [?]:
CCOc1ccc(cc1)OCc2cccc(c2)C(=O)[O-]
InChi [?]:
InChI=1/C16H16O4/c1-2-19-14-6-8-15(9-7-14)20-11-12-4-3-5-13(10-12)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,5,9,6,8,17,11,12,16,4,7,18,19,20,3,10/E:(6,7)(8,9)(17,18)/rA:20nCCOCCCCCCOCCCCCCCCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15O4-
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-33.6997
Area:485.118
Solvation:-45.8276
Coulombic:-16.1007
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.288
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.12
LogP (Chemaxon):3.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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