Chemical ID: 5683998

Cc1ccc2c(cc(=O)oc2c1)COC(=O)c3cc(cc(c3)C)C
Chemical ID:
5683998
Name [?]:
(7-methyl-2-oxo-chromen-4-yl)methyl 3,5-dimethylbenzoate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1)COC(=O)c3cc(cc(c3)C)C
InChi [?]:
InChI=1/C20H18O4/c1-12-4-5-17-16(10-19(21)24-18(17)9-12)11-23-20(22)15-7-13(2)6-14(3)8-15/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,3,4,20,22,18,12,7,13,2,21,19,17,6,5,11,8,15,9,16,14,10/E:(2,3)(7,8)(13,14)/rA:24nCCCCCCCCOOCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7777
Area:542.234
Solvation:-2.77817
Coulombic:-40.3903
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.355
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.65
LogP (Chemaxon):4.84

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Descriptor Annotations

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