Chemical ID: 6835771

Cc1ccc(cc1)c2cc(=O)c3cc(cc(c3o2)C)C
Chemical ID:
6835771
Name [?]:
6,8-dimethyl-2-(p-tolyl)chromen-4-one
SMILES [?]:
Cc1ccc(cc1)c2cc(=O)c3cc(cc(c3o2)C)C
InChi [?]:
InChI=1/C18H16O2/c1-11-4-6-14(7-5-11)17-10-16(19)15-9-12(2)8-13(3)18(15)20-17/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,3,7,4,6,15,13,9,2,14,16,5,12,10,8,17,11,18/E:(4,5)(6,7)/rA:20nCCCCCCCCCCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O2
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.47152
Area:456.092
Solvation:-1.93077
Coulombic:-18.2002
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:264.318
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.73
LogP (Chemaxon):5.02

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Descriptor Annotations

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