3314 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 6 7 7 8 9 10 10 11 11 11 12 12 6 11 8 22 4 5 7 10 13 14 6 15 8 9 16 9 17 12 18 19 20 21 23 24 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 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 4.269 2.5369 5.135 6.001 5.135 4.269 4.269 3.403 3.403 6.001 5.135 6.8671 6.6116 6.2131 5.672 4.269 2.866 5.4641 5.445 5.672 4.825 2 6.8671 7.404 2 1 -0.5 -1 0.5 1 -1 0.5 -0.5 -2 2.5 -2.5 -1.1077 -0.4174 0.81 -1.62 -0.81 -2.31 1.9631 2.81 3.0369 0.69 -3.12 -2.19 8 8 8 8 8 8 3 3 5 6 7 8 5 7 6 8 9 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 145 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0703000000000000000000000000000000000000000300000000000000000010000001A00000800000C048098023206800006008002204200000208002020000888000688880D262286311A80702324C0110BB80780C0B00E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-allyl-2-methoxy-phenol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methoxy-4-prop-2-enylphenol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methoxy-4-prop-2-enylphenol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methoxy-4-prop-2-enyl-phenol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 eugenol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 RRAFCDWBNXTKKO-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 164.08373 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H12O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 164.20108 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=C(C=CC(=C1)CC=C)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=C(C=CC(=C1)CC=C)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 29.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 164.08373 12 0 0 0 0 0 0 0 1 3