69933750 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 35 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 7 8 8 9 9 10 11 11 11 12 12 13 13 7 5 11 8 22 6 7 8 6 9 14 10 15 16 10 17 18 12 19 20 13 21 23 24 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 2 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 24 2 5.4641 4.5981 3.732 4.5981 4.5981 2.866 3.732 3.732 2.866 5.4641 6.3301 6.3301 5.135 3.52 3.1215 3.732 2.3291 4.8535 5.252 6.8671 4.5981 5.7932 6.8671 1.19 -0.81 2.69 1.19 -0.31 0.69 0.69 2.19 -0.81 -0.31 -1.81 -2.31 -3.31 1 2.7726 2.0823 -1.43 -0.62 -1.7023 -2.3926 -2 3.31 -3.62 -3.62 8 8 8 8 8 8 4 4 5 5 7 9 6 7 6 9 10 10 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 161 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703000001000000000000000000000000000000000300000000000000000010000001A0040080001AC04A098023006800006008002204200000208002020040888000608A80C362284311A827820A4C01108BA17C0C0300E00100100000080000020020000010000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-allyloxy-2-bromo-phenyl)methanol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-bromo-5-prop-2-enoxyphenyl)methanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-bromo-5-prop-2-enoxyphenyl)methanol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-bromo-5-prop-2-enoxyphenyl)methanol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-bromanyl-5-prop-2-enoxy-phenyl)methanol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-allyloxy-2-bromo-phenyl)methanol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H11BrO2/c1-2-5-13-9-3-4-10(11)8(6-9)7-12/h2-4,6,12H,1,5,7H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VUMFKRGTDLOHHF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.99424 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H11BrO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 243.10 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCOC1=CC(=C(C=C1)Br)CO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCOC1=CC(=C(C=C1)Br)CO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 29.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.99424 13 0 0 0 0 0 0 0 1 -1