Chemical ID: 4109301

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C(=O)C
Chemical ID:
4109301
Name [?]:
(4-acetyl-2-methoxy-phenyl) 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C(=O)C
InChi [?]:
InChI=1/C17H16O4/c1-11-4-6-13(7-5-11)17(19)21-15-9-8-14(12(2)18)10-16(15)20-3/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,18,3,7,4,6,13,12,15,2,19,5,14,11,16,8,20,9,17,10/E:(4,5)(6,7)/rA:21nCCCCCCCCOOCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.53955
Area:489.2
Solvation:-3.69046
Coulombic:-36.045
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.307
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.45
LogP (Chemaxon):2.8

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Experimental Annotations

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Descriptor Annotations

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