Chemical ID: 6874902

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCc4ccccc4C
Chemical ID:
6874902
Name [?]:
2-(4-chlorophenyl)-6-methyl-3-(o-tolylmethoxy)chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCc4ccccc4C
InChi [?]:
InChI=1/C24H19ClO3/c1-15-7-12-21-20(13-15)22(26)24(27-14-18-6-4-3-5-16(18)2)23(28-21)17-8-10-19(25)11-9-17/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,25,24,26,23,3,14,18,15,17,4,7,21,2,27,13,22,16,6,5,8,11,10,19,9,20,12/E:(8,9)(10,11)/rA:28nCCCCCCCCOCCOCCCCCCClOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s10;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19ClO3
All Atoms:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.1752
Area:600.294
Solvation:-2.83214
Coulombic:-29.8976
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.859
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.08
LogP (Chemaxon):6.6

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Descriptor Annotations

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