439712 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 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 3 4 4 4 5 5 6 6 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 3 7 5 26 4 8 18 5 19 20 6 21 7 9 10 11 12 13 22 14 23 15 24 16 25 14 27 28 17 29 17 30 31 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 3 1 4 8 18 1 1 5 2 4 6 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 4.666 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 6.1426 5.7441 5.203 2.9132 2.9132 5.8612 7.2641 5.203 1.4643 1.4643 7.2641 8.6671 8.6671 -0.905 2.095 -0.405 0.595 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 -1.025 0.4873 1.1776 1.405 1.7496 -1.5596 -2.215 0.215 2.405 0.9279 -0.7379 -3.025 -0.595 -2.215 5 3 8 8 8 8 8 8 8 8 8 8 8 8 3 5 6 6 7 8 8 9 10 11 12 13 15 16 8 2 7 9 10 11 12 13 14 15 16 14 17 17 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 247 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703000000000000000000000000000000000000000346080000000000000914000001A00000800000C14A098023006800006008002204200000208002020000888000608880C372284311A827820A5C01108B80780C0E00E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-phenylchroman-4-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>S</I>)-2-phenyl-3,4-dihydro-2<I>H</I>-chromen-4-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-phenyl-3,4-dihydro-2H-chromen-4-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-phenyl-3,4-dihydro-2H-chromen-4-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-phenylchroman-4-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/t13?,15-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YTMFRMLVZQOBDR-WUJWULDRSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 226.099379685 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H14O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 226.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1[C@H](OC2=CC=CC=C2C1O)C3=CC=CC=C3 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 2021.05.07 226.099379685 17 2 1 1 0 0 0 0 1 -1