Chemical ID: 6986724

Cc1cc(ccc1OCC(=O)Oc2ccccc2C(C)C)Cl
Chemical ID:
6986724
Name [?]:
(2-isopropylphenyl) 2-(4-chloro-2-methyl-phenoxy)acetate
SMILES [?]:
Cc1cc(ccc1OCC(=O)Oc2ccccc2C(C)C)Cl
InChi [?]:
InChI=1/C18H19ClO3/c1-12(2)15-6-4-5-7-17(15)22-18(20)11-21-16-9-8-14(19)10-13(16)3/h4-10,12H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:20,21,1,16,15,17,14,5,6,3,9,19,2,4,18,7,13,10,22,11,8,12/E:(1,2)/rA:22nCCCCCCCOCCOOCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClO3
All Atoms:41
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4759
Area:537.136
Solvation:-2.95244
Coulombic:-29.5527
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.794
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.98
LogP (Chemaxon):5.23

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Descriptor Annotations

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