Chemical ID: 4813706

Cc1ccc(cc1C)OCc2ccc(o2)C(=O)OC
Chemical ID:
4813706
Name [?]:
methyl 5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxylate
SMILES [?]:
Cc1ccc(cc1C)OCc2ccc(o2)C(=O)OC
InChi [?]:
InChI=1/C15H16O4/c1-10-4-5-12(8-11(10)2)18-9-13-6-7-14(19-13)15(16)17-3/h4-8H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,19,3,4,12,13,6,10,2,7,5,11,14,16,17,18,9,15/rA:19nCCCCCCCCOCCCCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.92146
Area:475.366
Solvation:-3.96269
Coulombic:-36.3714
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:3.17
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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