6054 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 4 19 3 4 10 11 5 6 12 13 7 14 8 15 9 16 9 17 18 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 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 3.732 2.866 2.866 3.732 2 3.732 2 3.732 2.866 2.654 2.2554 3.9441 4.3426 1.4631 4.269 1.4631 4.269 2.866 4.269 2.095 0.595 -0.405 1.095 -0.905 -0.905 -1.905 -1.905 -2.405 1.1776 0.4873 0.5124 1.2027 -0.595 -0.595 -2.215 -2.215 -3.025 2.405 8 8 8 8 8 8 3 3 5 6 7 8 5 6 7 8 9 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 65 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 00000371C0702000000000000000000000000000000000000000300000000000000000010000001A00000800000C00A0980230008000020080022042000002000020000008880000008808302280111080600024C00108880780C0A00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenylethanol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenylethanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenylethanol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenylethanol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenylethanol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WRMNZCZEMHIOCP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 122.073165 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H10O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 122.1644 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)CCO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)CCO Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 20.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 122.073165 9 0 0 0 0 0 0 0 1 1