Chemical ID: 4161418

CCOc1ccccc1OC(=O)COc2ccc(cc2C)C
Chemical ID:
4161418
Name [?]:
(2-ethoxyphenyl) 2-(2,4-dimethylphenoxy)acetate
SMILES [?]:
CCOc1ccccc1OC(=O)COc2ccc(cc2C)C
InChi [?]:
InChI=1/C18H20O4/c1-4-20-16-7-5-6-8-17(16)22-18(19)12-21-15-10-9-13(2)11-14(15)3/h5-11H,4,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,2,6,7,5,8,17,16,19,13,18,20,15,4,9,11,12,3,14,10/rA:22nCCOCCCCCCOCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.8074
Area:524.651
Solvation:-4.30888
Coulombic:-35.9433
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.349
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.8
LogP (Chemaxon):4.07

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Descriptor Annotations

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