460 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 6 6 7 7 8 9 9 9 3 9 4 17 4 5 6 7 10 8 11 8 12 13 14 15 16 1 1 1 1 1 2 2 1 1 1 1 2 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 4.269 2.5369 4.269 3.403 5.135 3.403 5.135 4.269 5.135 5.672 2.866 5.672 4.269 5.445 5.672 4.825 2 1.25 0.25 0.25 -0.25 -0.25 -1.25 -1.25 -1.75 1.75 0.06 -1.56 -1.56 -2.37 1.2131 2.06 2.2869 -0.06 8 8 8 8 8 8 3 3 4 5 6 7 4 5 6 7 8 8 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 83 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0603000000000000000000000000000000000000000300000000000000000010000001A000008000008048090023206800006008000204200000208002020000888000688880D262286311A80702324C0110BB8078040000000000000000040000000000000008000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2-methoxyphenol IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2-methoxyphenol IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2-methoxyphenol IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2-methoxyphenol IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 guaiacol InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 LHGVFZTZFXWLCP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 124.052429 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C7H8O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 124.13722 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 COC1=CC=CC=C1O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 COC1=CC=CC=C1O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 29.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 124.052429 9 0 0 0 0 0 0 0 1 3