4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

C162H216Cl2N12O25 — CID 162107014

IUPAC4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESC#CCOc1cc(C)nc2c1CCCCC2O.C=CCOc1cc(C)nc2c1CCCCC2O.CCCc1ccc2c(n1)C(O)CCCC2.CCOc1cc(C)nc2c1CCCCC2O.CCOc1cc(OCC)c2c(n1)C(O)CCCC2.CCc1cc(CO)nc2c1CCCCC2O.COc1cc(C)nc2c1CCCCC2O.COc1cc(OC)c2c(n1)C(O)CCCC2.Cc1cc(CO)nc2c1CCCCC2O.Cc1cc(Oc2cc(Cl)cc(Cl)c2)c2c(n1)C(O)CCCC2.Cc1cc(Oc2ccccc2)c2c(n1)C(O)CCCC2.OCc1ccc2c(n1)C(O)CCCC2
InChIInChI=1S/C17H17Cl2NO2.C17H19NO2.C14H21NO3.C14H19NO2.C14H17NO2.2C13H19NO2.C13H19NO.C12H17NO3.2C12H17NO2.C11H15NO2/c1-10-6-16(22-13-8-11(18)7-12(19)9-13)14-4-2-3-5-15(21)17(14)20-10;1-12-11-16(20-13-7-3-2-4-8-13)14-9-5-6-10-15(19)17(14)18-12;1-3-17-12-9-13(18-4-2)15-14-10(12)7-5-6-8-11(14)16;2*1-3-8-17-13-9-10(2)15-14-11(13)6-4-5-7-12(14)16;1-3-16-12-8-9(2)14-13-10(12)6-4-5-7-11(13)15;1-2-9-7-10(8-15)14-13-11(9)5-3-4-6-12(13)16;1-2-5-11-9-8-10-6-3-4-7-12(15)13(10)14-11;1-15-10-7-11(16-2)13-12-8(10)5-3-4-6-9(12)14;1-8-7-11(15-2)9-5-3-4-6-10(14)12(9)13-8;1-8-6-9(7-14)13-12-10(8)4-2-3-5-11(12)15;13-7-9-6-5-8-3-1-2-4-10(14)11(8)12-9/h6-9,15,21H,2-5H2,1H3;2-4,7-8,11,15,19H,5-6,9-10H2,1H3;9,11,16H,3-8H2,1-2H3;3,9,12,16H,1,4-8H2,2H3;1,9,12,16H,4-8H2,2H3;8,11,15H,3-7H2,1-2H3;7,12,15-16H,2-6,8H2,1H3;8-9,12,15H,2-7H2,1H3;7,9,14H,3-6H2,1-2H3;7,10,14H,3-6H2,1-2H3;6,11,14-15H,2-5,7H2,1H3;5-6,10,13-14H,1-4,7H2
InChIKeyZFQIKZUHPDPUDY-UHFFFAOYSA-N
MW2802.47 g/mol
LogP30.94
Rot. Bonds24

About 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (PubChem CID 162107014) has the molecular formula C162H216Cl2N12O25 and a molecular weight of 2802.47 g/mol. Its IUPAC name is 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
PubChem CID162107014
Molecular FormulaC162H216Cl2N12O25
Molecular Weight2802.47 g/mol
Exact Mass2799.54
IUPAC Name4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESC#CCOc1cc(C)nc2c1CCCCC2O.C=CCOc1cc(C)nc2c1CCCCC2O.CCCc1ccc2c(n1)C(O)CCCC2.CCOc1cc(C)nc2c1CCCCC2O.CCOc1cc(OCC)c2c(n1)C(O)CCCC2.CCc1cc(CO)nc2c1CCCCC2O.COc1cc(C)nc2c1CCCCC2O.COc1cc(OC)c2c(n1)C(O)CCCC2.Cc1cc(CO)nc2c1CCCCC2O.Cc1cc(Oc2cc(Cl)cc(Cl)c2)c2c(n1)C(O)CCCC2.Cc1cc(Oc2ccccc2)c2c(n1)C(O)CCCC2.OCc1ccc2c(n1)C(O)CCCC2
InChIInChI=1S/C17H17Cl2NO2.C17H19NO2.C14H21NO3.C14H19NO2.C14H17NO2.2C13H19NO2.C13H19NO.C12H17NO3.2C12H17NO2.C11H15NO2/c1-10-6-16(22-13-8-11(18)7-12(19)9-13)14-4-2-3-5-15(21)17(14)20-10;1-12-11-16(20-13-7-3-2-4-8-13)14-9-5-6-10-15(19)17(14)18-12;1-3-17-12-9-13(18-4-2)15-14-10(12)7-5-6-8-11(14)16;2*1-3-8-17-13-9-10(2)15-14-11(13)6-4-5-7-12(14)16;1-3-16-12-8-9(2)14-13-10(12)6-4-5-7-11(13)15;1-2-9-7-10(8-15)14-13-11(9)5-3-4-6-12(13)16;1-2-5-11-9-8-10-6-3-4-7-12(15)13(10)14-11;1-15-10-7-11(16-2)13-12-8(10)5-3-4-6-9(12)14;1-8-7-11(15-2)9-5-3-4-6-10(14)12(9)13-8;1-8-6-9(7-14)13-12-10(8)4-2-3-5-11(12)15;13-7-9-6-5-8-3-1-2-4-10(14)11(8)12-9/h6-9,15,21H,2-5H2,1H3;2-4,7-8,11,15,19H,5-6,9-10H2,1H3;9,11,16H,3-8H2,1-2H3;3,9,12,16H,1,4-8H2,2H3;1,9,12,16H,4-8H2,2H3;8,11,15H,3-7H2,1-2H3;7,12,15-16H,2-6,8H2,1H3;8-9,12,15H,2-7H2,1H3;7,9,14H,3-6H2,1-2H3;7,10,14H,3-6H2,1-2H3;6,11,14-15H,2-5,7H2,1H3;5-6,10,13-14H,1-4,7H2
InChIKeyZFQIKZUHPDPUDY-UHFFFAOYSA-N
XLogP30.94
TPSA550.43 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002802.47
LogP ≤ 530.94
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol with MolForge

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Related Compounds

3-Chloro-4-methoxy-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;4-cyclopentyloxy-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;4-(3,5-dichlorophenoxy)-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;4-(difluoromethyl)-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;4-ethenyl-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;4-ethoxy-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;4-(fluoromethyl)-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;4-methoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinolin-8-ol;2-methyl-4-phenoxy-5,6,7,8-tetrahydroquinolin-8-ol;2-methyl-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-8-ol;2-methyl-4-prop-2-enoxy-5,6,7,8-tetrahydroquinolin-8-ol;2-methyl-4-prop-2-ynoxy-5,6,7,8-tetrahydroquinolin-8-ol;2-methyl-4-(trichloromethyl)-5,6,7,8-tetrahydroquinolin-8-ol;2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 158130608
2,4-Dichloro-5,6,7,8-tetrahydroquinolin-8-ol;4-(difluoromethoxy)-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;2-(difluoromethyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol;2-(difluoromethyl)-4-methyl-5,6,7,8-tetrahydroquinolin-8-ol;4-(difluoromethyl)-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;2-(fluoromethyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol;4-(fluoromethyl)-2-methyl-5,6,7,8-tetrahydroquinolin-8-ol;2-fluoro-5,6,7,8-tetrahydroquinolin-8-ol;2-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-8-ol;4-methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-8-ol;2-methyl-4-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroquinolin-8-ol;2-methyl-4-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-ol;2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-8-ol;4-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 158189718

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The IUPAC name of 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (CID 162107014) is 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is C#CCOc1cc(C)nc2c1CCCCC2O.C=CCOc1cc(C)nc2c1CCCCC2O.CCCc1ccc2c(n1)C(O)CCCC2.CCOc1cc(C)nc2c1CCCCC2O.CCOc1cc(OCC)c2c(n1)C(O)CCCC2.CCc1cc(CO)nc2c1CCCCC2O.COc1cc(C)nc2c1CCCCC2O.COc1cc(OC)c2c(n1)C(O)CCCC2.Cc1cc(CO)nc2c1CCCCC2O.Cc1cc(Oc2cc(Cl)cc(Cl)c2)c2c(n1)C(O)CCCC2.Cc1cc(Oc2ccccc2)c2c(n1)C(O)CCCC2.OCc1ccc2c(n1)C(O)CCCC2.
What is the InChIKey of 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The InChIKey is ZFQIKZUHPDPUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2.C17H19NO2.C14H21NO3.C14H19NO2.C14H17NO2.2C13H19NO2.C13H19NO.C12H17NO3.2C12H17NO2.C11H15NO2/c1-10-6-16(22-13-8-11(18)7-12(19)9-13)14-4-2-3-5-15(21)17(14)20-10;1-12-11-16(20-13-7-3-2-4-8-13)14-9-5-6-10-15(19)17(14)18-12;1-3-17-12-9-13(18-4-2)15-14-10(12)7-5-6-8-11(14)16;2*1-3-8-17-13-9-10(2)15-14-11(13)6-4-5-7-12(14)16;1-3-16-12-8-9(2)14-13-10(12)6-4-5-7-11(13)15;1-2-9-7-10(8-15)14-13-11(9)5-3-4-6-12(13)16;1-2-5-11-9-8-10-6-3-4-7-12(15)13(10)14-11;1-15-10-7-11(16-2)13-12-8(10)5-3-4-6-9(12)14;1-8-7-11(15-2)9-5-3-4-6-10(14)12(9)13-8;1-8-6-9(7-14)13-12-10(8)4-2-3-5-11(12)15;13-7-9-6-5-8-3-1-2-4-10(14)11(8)12-9/h6-9,15,21H,2-5H2,1H3;2-4,7-8,11,15,19H,5-6,9-10H2,1H3;9,11,16H,3-8H2,1-2H3;3,9,12,16H,1,4-8H2,2H3;1,9,12,16H,4-8H2,2H3;8,11,15H,3-7H2,1-2H3;7,12,15-16H,2-6,8H2,1H3;8-9,12,15H,2-7H2,1H3;7,9,14H,3-6H2,1-2H3;7,10,14H,3-6H2,1-2H3;6,11,14-15H,2-5,7H2,1H3;5-6,10,13-14H,1-4,7H2.
What are the key properties of 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol has a molecular weight of 2802.47 g/mol, XLogP of 30.94, 24 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenoxy)-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-diethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-ethyl-2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;4-methoxy-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-phenoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-enoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-methyl-4-prop-2-ynoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 162107014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).