Chemical ID: 6913591

Cc1cccc(c1OCc2ccc(o2)C(=O)OC)C
Chemical ID:
6913591
Name [?]:
methyl 5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxylate
SMILES [?]:
Cc1cccc(c1OCc2ccc(o2)C(=O)OC)C
InChi [?]:
InChI=1/C15H16O4/c1-10-5-4-6-11(2)14(10)18-9-12-7-8-13(19-12)15(16)17-3/h4-8H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,4,3,5,11,12,9,2,6,10,13,7,15,16,17,8,14/E:(1,2)(5,6)(10,11)/rA:19nCCCCCCCOCCCCCOCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;s10s13;s13;d15;s15;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16O4
All Atoms:35
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.91261
Area:463.847
Solvation:-3.68356
Coulombic:-37.0231
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.285
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.75
LogP (Chemaxon):2.77

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Descriptor Annotations

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