62465 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 8 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 6 7 8 9 9 9 10 11 11 11 7 11 8 23 4 5 6 9 12 13 7 14 10 15 8 10 17 18 19 16 20 21 22 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 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 4.269 2.5369 5.135 6.001 5.135 4.269 4.269 3.403 6.001 3.403 5.135 6.6116 6.2131 5.672 4.269 2.866 5.381 6.001 6.621 5.445 5.672 4.825 2 1.75 0.75 -0.75 -1.25 0.25 -1.25 0.75 0.25 -2.25 -0.75 2.25 -1.3577 -0.6674 0.56 -1.87 -1.06 -2.25 -2.87 -2.25 1.7131 2.56 2.7869 0.44 8 8 8 8 8 8 3 3 5 6 7 8 5 6 7 10 8 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 114 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 2 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-ethyl-2-methoxy-phenol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-ethyl-2-methoxyphenol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-ethyl-2-methoxyphenol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-ethyl-2-methoxy-phenol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-ethyl-2-methoxy-phenol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CHWNEIVBYREQRF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 152.08373 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C9H12O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 152.19038 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCC1=CC(=C(C=C1)O)OC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCC1=CC(=C(C=C1)O)OC 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 2011.09.13 152.08373 11 0 0 0 0 0 0 0 1 3