Chemical ID: 4105048

Cc1ccc(c(c1)OCC(=O)Oc2cc(cc(c2)C)C)C(C)C
Chemical ID:
4105048
Name [?]:
(3,5-dimethylphenyl) 2-(2-isopropyl-5-methyl-phenoxy)acetate
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Oc2cc(cc(c2)C)C)C(C)C
InChi [?]:
InChI=1/C20H24O3/c1-13(2)18-7-6-14(3)11-19(18)22-12-20(21)23-17-9-15(4)8-16(5)10-17/h6-11,13H,12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:22,23,1,19,20,3,4,16,18,14,7,9,21,2,17,15,13,5,6,10,11,8,12/E:(1,2)(4,5)(9,10)(15,16)/rA:23nCCCCCCCOCCOOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s15;s5;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6239
Area:554.948
Solvation:-3.24981
Coulombic:-28.6446
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.403
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.44
LogP (Chemaxon):5.64

Name Annotations

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Descriptor Annotations

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