Chemical ID: 4691971

Cc1c2cc(ccc2oc1C(=O)c3ccccc3)OC
Chemical ID:
4691971
Name [?]:
(5-methoxy-3-methyl-benzofuran-2-yl)-phenyl-methanone
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)c3ccccc3)OC
InChi [?]:
InChI=1/C17H14O3/c1-11-14-10-13(19-2)8-9-15(14)20-17(11)16(18)12-6-4-3-5-7-12/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,16,15,17,14,18,6,7,4,2,13,5,3,8,11,10,12,19,9/E:(4,5)(6,7)/rA:20nCCCCCCCCOCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.39939
Area:449.315
Solvation:-2.83347
Coulombic:-26.9587
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.291
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.69
LogP (Chemaxon):3.83

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Descriptor Annotations

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