11476 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 3 3 3 4 5 5 6 6 7 7 8 9 9 9 7 19 4 5 7 4 6 9 10 8 11 8 14 12 13 15 16 17 18 1 1 1 2 1 2 1 1 1 1 1 2 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 4.5981 3.732 2.866 2.866 4.5981 3.732 3.732 4.5981 2 2.3291 5.135 3.52 3.1215 3.732 5.135 1.69 1.4631 2.31 4.5981 1.44 -0.06 -1.56 -0.56 -0.56 -2.06 0.94 -1.56 -2.06 -0.25 -0.25 1.5226 0.8323 -2.68 -1.87 -1.5231 -2.37 -2.5969 2.06 8 8 8 8 8 8 2 2 3 3 5 6 4 5 4 6 8 8 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 80.6 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0702000000000000000000000000000000000000000300000000000000000010000001A00000800000C00A0980232008000020080022042000002000020000008880000088808362280111080700024C00108980780C0600E00000200000000000000040000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 m-tolylmethanol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (3-methylphenyl)methanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (3-methylphenyl)methanol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (3-methylphenyl)methanol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 m-tolylmethanol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 JJCKHVUTVOPLBV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.6 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 CC1=CC(=CC=C1)CO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=CC(=CC=C1)CO 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