Chem 2 Butyl 3 4 Hydroxybenzoyl Benzofuran Dynax

Compound 40
  CheckMol                        TMF02:r0:m0
MF=C19H18O3 MW=294.35
 22 24  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -0.4490   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604   -1.9021   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.5638    0.5671   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2017   -2.3511   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.6616   -2.8946   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0406    0.2717   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4220    2.0675   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.5207   -3.8043   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.9806   -4.3478   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7967    1.5832   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.8085   -1.0161   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8043    2.6937   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -1.1342    2.8355   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4220   -4.7967   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3090    1.5950   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3208   -1.0042   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.1536    2.0912   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7410   -6.2499   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0769    0.3072   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4414    2.8591   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    2.1148   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7 01  0  1  0  0
  4  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  7 11 02  0  2  0  0
  7 12 01  0  1  0  0
  8 13 01  0  1  0  0
  8 14  1  0  0  0  0
  9 15 02  0  1  0  0
 11 16 01  0  1  0  0
 12 17 02  0  1  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20 02  0  1  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 15 01  0  1  0  0
 11 13 01  0  1  0  0
 17 20 01  0  1  0  0
M  END

2-Butyl – 3(-4 Hydroxybenzoyl) Benzofuran

₹ 0.00 0.00

Chemical Name - 2-Butyl – 3(-4 Hydroxybenzoyl) Benzofuran
Mol Weight - 294.349
Smiles - CCCCc1c(C(c(cc2)ccc2O)=O)c(cccc2)c2o1

Property Name	Property Value
Mol Name	2-Butyl – 3(-4 Hydroxybenzoyl) Benzofuran
Molweight	294.349
Monoisotopic Mass	294.125595
Clogp	4.6178
Clogs	-5.646
H Acceptors	3
H Donors	1
Total Surface Area	234.95
Relative Psa	0.17131
Polar Surface Area	50.44
Druglikeness	-5.1888
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.46486
Molecular Complexity	0.82449
Fragments	1
Non H Atoms	22
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3 Atoms	5
Symmetric Atoms	2
Smiles	CCCCc1c(C(c(cc2)ccc2O)=O)c(cccc2)c2o1
InChIKey	InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
InChI	ZHGKQUXXASLVQQ-UHFFFAOYSA-N

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1 - 2-Butyl – 3(-4 Hydroxybenzoyl) Benzofuran
2 - 2-Butyl – 3(-4 Hydroxybenzoyl) Benzofuran

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2-Butyl – 3(-4 Hydroxybenzoyl) Benzofuran