Chemical ID: 4146435

Cc1ccc(cc1)OCC(=O)Oc2c(cccc2C)C
Chemical ID:
4146435
Name [?]:
(2,6-dimethylphenyl) 2-(4-methylphenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Oc2c(cccc2C)C
InChi [?]:
InChI=1/C17H18O3/c1-12-7-9-15(10-8-12)19-11-16(18)20-17-13(2)5-4-6-14(17)3/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,16,17,15,3,7,4,6,9,2,18,14,5,10,13,11,8,12/E:(2,3)(5,6)(7,8)(9,10)(13,14)/rA:20nCCCCCCCOCCOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.66816
Area:479.629
Solvation:-3.32255
Coulombic:-28.2238
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.323
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.83
LogP (Chemaxon):4.45

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Descriptor Annotations

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