5280507 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 8 9 11 11 12 12 13 13 14 14 14 15 15 15 6 14 7 15 10 22 13 29 8 9 11 9 10 8 10 16 17 12 18 13 19 20 21 23 24 25 26 27 28 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 11 5 18 12 19 13 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 6.3301 2.866 4.5981 6.3301 4.5981 5.4641 3.732 3.732 5.4641 4.5981 4.5981 5.4641 5.4641 7.1962 2 3.1951 6.001 4.0611 6.001 5.252 4.8535 4.0611 7.5062 7.7331 6.8862 2.31 1.4631 1.69 6.3301 -2.155 -2.155 -3.155 2.845 -0.155 -1.655 -1.655 -0.655 -0.655 -2.155 0.845 1.345 2.345 -1.655 -1.655 -0.345 -0.345 1.155 1.035 2.9276 2.2373 -3.465 -2.1919 -1.345 -1.1181 -1.1181 -1.345 -2.1919 3.465 8 8 8 8 8 8 5 5 6 6 7 7 8 9 9 10 8 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 191 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0703800000000000000000000000000000000000000300000000000000000010000001A00000800000C04A098023206800006008002204200000208002020000888000688880D372286311A80702325C0150BB80780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2,6-dimethoxy-4-[(E)-3-oxidanylprop-1-enyl]phenol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+ InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 LZFOPEXOUVTGJS-ONEGZZNKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 210.089209 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C11H14O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 210.22646 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=CC(=CC(=C1O)OC)C=CCO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=CC(=CC(=C1O)OC)/C=C/CO Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 58.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 210.089209 15 0 0 0 1 1 0 0 1 3