Chemical ID: 6660692

COc1cc(ccc1OCc2ccccc2)C(=O)OC
Chemical ID:
6660692
Name [?]:
methyl 4-benzyloxy-3-methoxy-benzoate
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C(=O)OC
InChi [?]:
InChI=1/C16H16O4/c1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,14,13,15,12,16,6,7,4,10,11,5,8,3,17,18,2,19,9/E:(4,5)(6,7)/rA:20nCOCCCCCCOCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.93988
Area:484.66
Solvation:-5.17661
Coulombic:-35.407
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:272.296
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.23
LogP (Chemaxon):2.87

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Descriptor Annotations

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