Chemical ID: 6986744

Cc1ccccc1OCC(=O)Oc2ccc(cc2)C(C)C
Chemical ID:
6986744
Name [?]:
(4-isopropylphenyl) 2-(2-methylphenoxy)acetate
SMILES [?]:
Cc1ccccc1OCC(=O)Oc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C18H20O3/c1-13(2)15-8-10-16(11-9-15)21-18(19)12-20-17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:20,21,1,4,5,3,6,15,17,14,18,9,19,2,16,13,7,10,11,8,12/E:(1,2)(8,9)(10,11)/rA:21nCCCCCCCOCCOOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20O3
All Atoms:41
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.45311
Area:509.217
Solvation:-3.27731
Coulombic:-28.9329
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.35
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):4.71

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Descriptor Annotations

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