Chemical ID: 5274737

Cc1c(c(=O)c2ccc(cc2o1)OCc3cccc(c3)Cl)Oc4ccccc4OC
Chemical ID:
5274737
Name [?]:
7-[(3-chlorophenyl)methoxy]-3-(2-methoxyphenoxy)-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCc3cccc(c3)Cl)Oc4ccccc4OC
InChi [?]:
InChI=1/C24H19ClO5/c1-15-24(30-21-9-4-3-8-20(21)27-2)23(26)19-11-10-18(13-22(19)29-15)28-14-16-6-5-7-17(25)12-16/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,26,25,17,16,18,27,24,8,7,20,10,14,2,15,19,9,6,28,23,11,4,3,21,5,29,13,12,22/rA:30nCCCCOCCCCCCOOCCCCCCCClOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s19;s3;s22;s23;d24;s25;d26;d23s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19ClO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.98912
Area:642.089
Solvation:-6.06312
Coulombic:-41.1331
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:422.857
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.61
LogP (Chemaxon):5.4

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Descriptor Annotations

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