Chemical ID: 6847003

CCOc1c(=O)c2cc(cc(c2oc1c3ccccc3Cl)C)C
Chemical ID:
6847003
Name [?]:
2-(2-chlorophenyl)-3-ethoxy-6,8-dimethyl-chromen-4-one
SMILES [?]:
CCOc1c(=O)c2cc(cc(c2oc1c3ccccc3Cl)C)C
InChi [?]:
InChI=1/C19H17ClO3/c1-4-22-19-16(21)14-10-11(2)9-12(3)17(14)23-18(19)13-7-5-6-8-15(13)20/h5-10H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,22,2,17,18,16,19,10,8,9,11,15,7,20,5,12,14,4,21,6,3,13/rA:23nCCOCCOCCCCCCOCCCCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d4s13;s14;s15;d16;s17;d18;d15s19;s20;s11;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClO3
All Atoms:40
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0384
Area:501.002
Solvation:-2.48664
Coulombic:-28.1185
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.789
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.58
LogP (Chemaxon):5.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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