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Chemical ID: 6740774
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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