Chemical ID: 7198186

COc1cccc(c1)OCc2cccc(c2)C(=O)[O-]
Chemical ID:
7198186
Name [?]:
3-[(3-methoxyphenoxy)methyl]benzoate
SMILES [?]:
COc1cccc(c1)OCc2cccc(c2)C(=O)[O-]
InChi [?]:
InChI=1/C15H14O4/c1-18-13-6-3-7-14(9-13)19-10-11-4-2-5-12(8-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,5,12,14,4,6,16,8,10,11,15,3,7,17,18,19,2,9/E:(16,17)/rA:19nCOCCCCCCOCCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13O4-
All Atoms:32
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-34.8012
Area:458.055
Solvation:-46.2526
Coulombic:-15.7026
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:257.261
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.7
LogP (Chemaxon):2.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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