
 CHEMBL3260439

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.8025    0.7859   -1.5117 C   0  0  0  0  0
    4.0855    1.1102   -0.8516 C   0  0  0  0  0
    4.6795    2.3015   -0.4713 C   0  0  0  0  0
    5.9370    1.9304    0.0874 C   0  0  0  0  0
    6.0253    0.5508    0.0238 C   0  0  0  0  0
    4.8843    0.0557   -0.5451 O   0  0  0  0  0
    7.0480   -0.3849    0.4148 C   0  0  0  0  0
    7.0136   -1.6057    0.3874 O   0  0  0  0  0
    8.1671    0.2462    0.8377 O   0  0  0  0  0
    4.1040    3.6694   -0.6551 C   0  0  0  0  0
    4.5511    4.5941    0.3454 O   0  0  0  0  0
    4.1000    5.8760    0.1620 C   0  0  0  0  0
    2.8350    6.2095   -0.3155 C   0  0  0  0  0
    2.4732    7.5525   -0.4774 C   0  0  0  0  0
    3.3620    8.5992   -0.1835 C   0  0  0  0  0
    4.6166    8.2405    0.3423 C   0  0  0  0  0
    4.9754    6.8967    0.5263 C   0  0  0  0  0
    2.9846   10.0199   -0.4073 C   0  0  0  0  0
    3.2751   10.9824    0.5827 C   0  0  0  0  0
    2.9351   12.3276    0.4211 C   0  0  0  0  0
    2.2783   12.7426   -0.7301 C   0  0  0  0  0
    1.9764   11.8175   -1.7287 C   0  0  0  0  0
    2.3408   10.4693   -1.5892 C   0  0  0  0  0
    2.0863    9.5278   -2.5579 O   0  0  0  0  0
    1.8514    9.9961   -3.8790 C   0  0  0  0  0
    1.9617    1.1446   -0.9104 H   0  0  0  0  0
    2.6855   -0.2930   -1.6521 H   0  0  0  0  0
    2.7518    1.2637   -2.4952 H   0  0  0  0  0
    6.6935    2.5908    0.4903 H   0  0  0  0  0
    8.7661   -0.5017    1.0409 H   0  0  0  0  0
    3.0138    3.5720   -0.6085 H   0  0  0  0  0
    4.3925    4.0362   -1.6491 H   0  0  0  0  0
    2.0935    5.4575   -0.5592 H   0  0  0  0  0
    1.4747    7.7758   -0.8489 H   0  0  0  0  0
    5.3426    9.0081    0.6016 H   0  0  0  0  0
    5.9529    6.6522    0.9336 H   0  0  0  0  0
    3.7651   10.6840    1.5076 H   0  0  0  0  0
    3.1748   13.0462    1.2006 H   0  0  0  0  0
    1.9964   13.7850   -0.8517 H   0  0  0  0  0
    1.4465   12.1751   -2.6054 H   0  0  0  0  0
    2.6348   10.6881   -4.2051 H   0  0  0  0  0
    0.8595   10.4514   -3.9614 H   0  0  0  0  0
    1.8738    9.1294   -4.5469 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 41  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3260439

>  <PubChem CID>
18444548

>  <Formula>
C20H18O5

>  <Molecular Weight>
338.359000

>  <IUPAC Name>
4-[[4-(2-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=C(O1)C(=O)O)COC2=CC=C(C=C2)C3=CC=CC=C3OC

>  <Isomeric SMILES>
CC1=C(C=C(O1)C(=O)O)COC2=CC=C(C=C2)C3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C20H18O5/c1-13-15(11-19(25-13)20(21)22)12-24-16-9-7-14(8-10-16)17-5-3-4-6-18(17)23-2/h3-11H,12H2,1-2H3,(H,21,22)

>  <InChI Key>
BCLCKUBMZHFDBT-UHFFFAOYSA-N

