Chemical ID: 5724947

Cc1ccc(cc1C)OC(=O)c2ccc(cc2)C(C)(C)C
Chemical ID:
5724947
Name [?]:
(3,4-dimethylphenyl) 4-tert-butylbenzoate
SMILES [?]:
Cc1ccc(cc1C)OC(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C19H22O2/c1-13-6-11-17(12-14(13)2)21-18(20)15-7-9-16(10-8-15)19(3,4)5/h6-12H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,19,20,21,3,13,17,14,16,4,6,2,7,12,15,5,10,18,11,9/E:(3,4,5)(7,8)(9,10)/rA:21nCCCCCCCCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.2133
Area:503.826
Solvation:-1.38239
Coulombic:-23.0703
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.377
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.21
LogP (Chemaxon):5.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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