Chemical ID: 6847248

Cc1cc(c2c(c1)oc(c(c2=O)OC)c3ccccc3Cl)C
Chemical ID:
6847248
Name [?]:
2-(2-chlorophenyl)-3-methoxy-5,7-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OC)c3ccccc3Cl)C
InChi [?]:
InChI=1/C18H15ClO3/c1-10-8-11(2)15-14(9-10)22-17(18(21-3)16(15)20)12-6-4-5-7-13(12)19/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,14,17,18,16,19,3,7,2,4,15,20,6,5,11,9,10,21,12,13,8/rA:22nCCCCCCCOCCCOOCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s9;s15;d16;s17;d18;d15s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClO3
All Atoms:37
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.3715
Area:477.943
Solvation:-2.57708
Coulombic:-27.8487
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.763
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.37
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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