5318979 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 8 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 5 8 4 24 6 27 5 6 19 9 20 7 21 8 10 11 12 13 14 22 15 23 16 25 17 26 15 28 29 18 30 18 31 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 4 2 5 6 19 3 1 5 1 4 9 20 3 1 6 3 4 7 21 3 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 25 26 27 28 29 30 31 32 4.666 6.3981 4.666 5.5321 5.5321 4.666 3.8 3.8 6.3981 2.9061 2.9061 6.3981 7.2641 2 2 7.2641 8.1301 8.1301 5.5321 5.5321 4.1291 2.9132 2.9132 6.3981 5.8612 7.2641 4.1291 1.4643 1.4643 7.2641 8.6671 8.6671 -0.905 1.095 2.095 0.595 -0.405 1.095 0.595 -0.405 -0.905 1.1297 -0.9397 -1.905 -0.405 0.6158 -0.4258 -2.405 -0.905 -1.905 1.215 -1.025 1.405 1.7496 -1.5596 1.715 -2.215 0.215 2.405 0.9279 -0.7379 -3.025 -0.595 -2.215 3 3 3 8 8 8 8 8 8 8 8 8 8 8 8 4 5 6 7 7 8 9 9 10 11 12 13 14 16 17 2 9 3 8 10 11 12 13 14 15 16 17 15 18 18 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 275 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703000000000000000000000000000000000000000346080000000000000914000001A00000800000C14A098023006800006008002204200000208002020000888000608880D372284311A827820A5C0110BB807C0C0E00E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenylchromane-3,4-diol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-3,4-dihydro-2H-1-benzopyran-3,4-diol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-3,4-dihydro-2<I>H</I>-chromene-3,4-diol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-3,4-dihydro-2H-chromene-3,4-diol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-3,4-dihydro-2H-chromene-3,4-diol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenylchroman-3,4-diol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H14O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,13-17H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XIMADJWJJOMVID-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.094294304 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H14O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2C(C(C3=CC=CC=C3O2)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2C(C(C3=CC=CC=C3O2)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.094294304 18 3 0 3 0 0 0 0 1 -1