Chemical ID: 6968330

Cc1ccc(cc1)OCC(=O)Oc2cc(ccc2C(C)C)C
Chemical ID:
6968330
Name [?]:
(2-isopropyl-5-methyl-phenyl) 2-(4-methylphenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Oc2cc(ccc2C(C)C)C
InChi [?]:
InChI=1/C19H22O3/c1-13(2)17-10-7-15(4)11-18(17)22-19(20)12-21-16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:20,21,1,22,3,7,16,4,6,17,14,9,19,2,15,5,18,13,10,11,8,12/E:(1,2)(5,6)(8,9)/rA:22nCCCCCCCOCCOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22O3
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2064
Area:526.753
Solvation:-2.96246
Coulombic:-29.3161
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:298.376
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.01
LogP (Chemaxon):5.18

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Descriptor Annotations

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