637563 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 7 8 8 9 9 10 10 10 11 11 11 5 11 3 4 8 6 12 7 13 6 7 14 15 9 16 10 17 18 19 20 21 22 23 1 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 8 2 16 9 17 10 2 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 2.866 2.866 2 3.732 2.866 2 3.732 2.866 3.732 3.732 2 1.4631 4.269 1.4631 4.269 2.3291 4.269 4.352 3.732 3.112 1.69 1.4631 2.31 -2.5 0.5 0 -0 -1.5 -1 -1 1.5 2 3 -3 0.31 0.31 -1.31 -1.31 1.81 1.69 3 3.62 3 -2.4631 -3.31 -3.5369 8 8 8 8 8 8 2 2 3 4 5 5 3 4 6 7 6 7 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 121 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0702000000000000000000000000000000000000000300000000000000000010000001A00000000000C048098023206800004008002204200000208002020000888000608880C262284311A80302024C01108A80780C0000E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methoxy-4-[(E)-prop-1-enyl]benzene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methoxy-4-[(E)-prop-1-enyl]benzene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methoxy-4-[(<I>E</I>)-prop-1-enyl]benzene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methoxy-4-[(E)-prop-1-enyl]benzene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methoxy-4-[(E)-prop-1-enyl]benzene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methoxy-4-[(E)-prop-1-enyl]benzene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RUVINXPYWBROJD-ONEGZZNKSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.088815002 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H12O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC=CC1=CC=C(C=C1)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C/C=C/C1=CC=C(C=C1)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 9.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.088815002 11 0 0 0 1 1 0 0 1 -1