Chemical ID: 5034715

Cc1ccc(c(c1)c2cc(ccc2C(=O)OC)C)C(=O)OC
Chemical ID:
5034715
Name [?]:
methyl 2-(2-methoxycarbonyl-5-methyl-phenyl)-4-methyl-benzoate
SMILES [?]:
Cc1ccc(c(c1)c2cc(ccc2C(=O)OC)C)C(=O)OC
InChi [?]:
InChI=1/C18H18O4/c1-11-5-7-13(17(19)21-3)15(9-11)16-10-12(2)6-8-14(16)18(20)22-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,22,17,3,11,4,12,7,9,2,10,5,13,6,8,19,14,20,15,21,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCCCCCCCCOOCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s10;s5;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.49626
Area:484.782
Solvation:-2.62329
Coulombic:-41.4686
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:298.333
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.71
LogP (Chemaxon):3.76

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Descriptor Annotations

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