31236 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 3 4 5 20 5 11 12 6 7 13 14 8 15 9 16 10 17 10 18 19 1 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 20 2.866 4.5981 3.732 2.866 3.732 2 3.732 2 3.732 2.866 3.9441 4.3426 3.52 3.1215 1.4631 4.269 1.4631 4.269 2.866 4.5981 0.19 2.19 0.69 -0.81 1.69 -1.31 -1.31 -2.31 -2.31 -2.81 0.1074 0.7977 2.2726 1.5823 -1 -1 -2.62 -2.62 -3.43 2.81 8 8 8 8 8 8 4 4 6 7 8 9 6 7 8 9 10 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 77.3 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 00000371C0703000000000000000000000000000000000000000300000000000000000010000001A00000800000804A090023006800006008000204200000208002020000888000608880D362284311A823820A4C0110BA8078040000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenoxyethanol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenoxyethanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenoxyethanol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenoxyethanol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenoxyethanol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 QCDWFXQBSFUVSP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 138.06808 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H10O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 138.1638 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)OCCO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)OCCO 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 2011.09.13 138.06808 10 0 0 0 0 0 0 0 1 1