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Chemical ID: 4291123
Chemical ID:
4291123
Name [?]:
6-methyl-2-phenyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)cc(o2)c3ccccc3
InChi [?]:
InChI=1/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,4,7,10,2,13,6,8,5,11,9,12/E:(3,4)(5,6)/rA:18nCCCCCCCCOCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41302 |
Area: | 416.198 |
Solvation: | -1.99193 |
Coulombic: | -18.4934 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 236.265 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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