Chemical ID: 4233773

Cc1ccc(cc1)OCC(=O)Oc2cccc(c2C)C
Chemical ID:
4233773
Name [?]:
(2,3-dimethylphenyl) 2-(4-methylphenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Oc2cccc(c2C)C
InChi [?]:
InChI=1/C17H18O3/c1-12-7-9-15(10-8-12)19-11-17(18)20-16-6-4-5-13(2)14(16)3/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,15,16,14,3,7,4,6,9,2,17,18,5,13,10,11,8,12/E:(7,8)(9,10)/rA:20nCCCCCCCOCCOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.00816
Area:479.086
Solvation:-2.96899
Coulombic:-28.5995
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.323
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):4.45

Name Annotations

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Descriptor Annotations

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