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Chemical ID: 6291098
Chemical ID:
6291098
Name [?]:
5,7-dimethoxy-2-(4-methoxyphenyl)-chroman-4-one
SMILES [?]:
COc1ccc(cc1)C2CC(=O)c3c(cc(cc3OC)OC)O2
InChi [?]:
InChI=1/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,5,7,4,8,17,15,10,6,3,16,11,9,18,14,13,12,2,21,19,23/E:(4,5)(6,7)/rA:23cCOCCCCCCCCCOCCCCCCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s9s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.4557 |
Area: | 499.884 |
Solvation: | -7.04141 |
Coulombic: | -35.3695 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 314.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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