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Chemical ID: 6835771
Chemical ID:
6835771
Name [?]:
6,8-dimethyl-2-(p-tolyl)chromen-4-one
SMILES [?]:
Cc1ccc(cc1)c2cc(=O)c3cc(cc(c3o2)C)C
InChi [?]:
InChI=1/C18H16O2/c1-11-4-6-14(7-5-11)17-10-16(19)15-9-12(2)8-13(3)18(15)20-17/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,3,7,4,6,15,13,9,2,14,16,5,12,10,8,17,11,18/E:(4,5)(6,7)/rA:20nCCCCCCCCCCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47152 |
Area: | 456.092 |
Solvation: | -1.93077 |
Coulombic: | -18.2002 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 264.318 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.73 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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