Chemical ID: 6986743

Cc1cccc(c1)OCC(=O)Oc2ccc(cc2)C(C)C
Chemical ID:
6986743
Name [?]:
(4-isopropylphenyl) 2-(3-methylphenoxy)acetate
SMILES [?]:
Cc1cccc(c1)OCC(=O)Oc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C18H20O3/c1-13(2)15-7-9-16(10-8-15)21-18(19)12-20-17-6-4-5-14(3)11-17/h4-11,13H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:20,21,1,4,3,5,15,17,14,18,7,9,19,2,16,13,6,10,11,8,12/E:(1,2)(7,8)(9,10)/rA:21nCCCCCCCOCCOOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;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:9.48489
Area:512.135
Solvation:-3.31849
Coulombic:-28.8019
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:4.78
LogP (Chemaxon):4.71

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Descriptor Annotations

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