2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol

C150H128F6N20O13S — CID 160867702

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol
SMILESC#Cc1cccc(/C=N/c2ccccc2)c1O.C=C(C)c1cccc(/C=N/c2ccccc2)c1O.C=CCc1cccc(/C=N/c2ccccc2)c1O.COc1nc(N=Cc2cccc(C)c2O)nc(OC)n1.Cc1cccc(C=Nc2ncncn2)c1O.Cc1nc(C)nc(N=Cc2cccc(C)c2O)n1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccc[nH]1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccco1.Oc1c(/C=N/c2ccccc2)cccc1-c1cccs1.Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1/C=N/c1ccccc1
InChIInChI=1S/C17H14N2O.C17H13NO2.C17H13NOS.2C16H15NO.C15H9F6NO.C15H11NO.C13H14N4O3.C13H14N4O.C11H10N4O/c20-17-13(12-19-14-7-2-1-3-8-14)6-4-9-15(17)16-10-5-11-18-16;2*19-17-13(12-18-14-7-2-1-3-8-14)6-4-9-15(17)16-10-5-11-20-16;1-12(2)15-10-6-7-13(16(15)18)11-17-14-8-4-3-5-9-14;1-2-7-13-8-6-9-14(16(13)18)12-17-15-10-4-3-5-11-15;16-14(17,18)9-6-12(15(19,20)21)11(13(23)7-9)8-22-10-4-2-1-3-5-10;1-2-12-7-6-8-13(15(12)17)11-16-14-9-4-3-5-10-14;1-8-5-4-6-9(10(8)18)7-14-11-15-12(19-2)17-13(16-11)20-3;1-8-5-4-6-11(12(8)18)7-14-13-16-9(2)15-10(3)17-13;1-8-3-2-4-9(10(8)16)5-13-11-14-6-12-7-15-11/h1-12,18,20H;2*1-12,19H;3-11,18H,1H2,2H3;2-6,8-12,18H,1,7H2;1-8,23H;1,3-11,17H;4-7,18H,1-3H3;4-7,18H,1-3H3;2-7,16H,1H3/b19-12+;2*18-12+;17-11+;17-12+;22-8+;16-11+;;;
InChIKeySLIPCCMQMIUUDT-OEGSFCTMSA-N
MW2564.86 g/mol
LogP35.31
Rot. Bonds28

About 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol (PubChem CID 160867702) has the molecular formula C150H128F6N20O13S and a molecular weight of 2564.86 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol
PubChem CID160867702
Molecular FormulaC150H128F6N20O13S
Molecular Weight2564.86 g/mol
Exact Mass2562.96
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol
SMILESC#Cc1cccc(/C=N/c2ccccc2)c1O.C=C(C)c1cccc(/C=N/c2ccccc2)c1O.C=CCc1cccc(/C=N/c2ccccc2)c1O.COc1nc(N=Cc2cccc(C)c2O)nc(OC)n1.Cc1cccc(C=Nc2ncncn2)c1O.Cc1nc(C)nc(N=Cc2cccc(C)c2O)n1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccc[nH]1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccco1.Oc1c(/C=N/c2ccccc2)cccc1-c1cccs1.Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1/C=N/c1ccccc1
InChIInChI=1S/C17H14N2O.C17H13NO2.C17H13NOS.2C16H15NO.C15H9F6NO.C15H11NO.C13H14N4O3.C13H14N4O.C11H10N4O/c20-17-13(12-19-14-7-2-1-3-8-14)6-4-9-15(17)16-10-5-11-18-16;2*19-17-13(12-18-14-7-2-1-3-8-14)6-4-9-15(17)16-10-5-11-20-16;1-12(2)15-10-6-7-13(16(15)18)11-17-14-8-4-3-5-9-14;1-2-7-13-8-6-9-14(16(13)18)12-17-15-10-4-3-5-11-15;16-14(17,18)9-6-12(15(19,20)21)11(13(23)7-9)8-22-10-4-2-1-3-5-10;1-2-12-7-6-8-13(15(12)17)11-16-14-9-4-3-5-10-14;1-8-5-4-6-9(10(8)18)7-14-11-15-12(19-2)17-13(16-11)20-3;1-8-5-4-6-11(12(8)18)7-14-13-16-9(2)15-10(3)17-13;1-8-3-2-4-9(10(8)16)5-13-11-14-6-12-7-15-11/h1-12,18,20H;2*1-12,19H;3-11,18H,1H2,2H3;2-6,8-12,18H,1,7H2;1-8,23H;1,3-11,17H;4-7,18H,1-3H3;4-7,18H,1-3H3;2-7,16H,1H3/b19-12+;2*18-12+;17-11+;17-12+;22-8+;16-11+;;;
InChIKeySLIPCCMQMIUUDT-OEGSFCTMSA-N
XLogP35.31
TPSA489.30 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002564.86
LogP ≤ 535.31
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol (CID 160867702) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol is C#Cc1cccc(/C=N/c2ccccc2)c1O.C=C(C)c1cccc(/C=N/c2ccccc2)c1O.C=CCc1cccc(/C=N/c2ccccc2)c1O.COc1nc(N=Cc2cccc(C)c2O)nc(OC)n1.Cc1cccc(C=Nc2ncncn2)c1O.Cc1nc(C)nc(N=Cc2cccc(C)c2O)n1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccc[nH]1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccco1.Oc1c(/C=N/c2ccccc2)cccc1-c1cccs1.Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1/C=N/c1ccccc1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol?
The InChIKey is SLIPCCMQMIUUDT-OEGSFCTMSA-N. The full InChI is InChI=1S/C17H14N2O.C17H13NO2.C17H13NOS.2C16H15NO.C15H9F6NO.C15H11NO.C13H14N4O3.C13H14N4O.C11H10N4O/c20-17-13(12-19-14-7-2-1-3-8-14)6-4-9-15(17)16-10-5-11-18-16;2*19-17-13(12-18-14-7-2-1-3-8-14)6-4-9-15(17)16-10-5-11-20-16;1-12(2)15-10-6-7-13(16(15)18)11-17-14-8-4-3-5-9-14;1-2-7-13-8-6-9-14(16(13)18)12-17-15-10-4-3-5-11-15;16-14(17,18)9-6-12(15(19,20)21)11(13(23)7-9)8-22-10-4-2-1-3-5-10;1-2-12-7-6-8-13(15(12)17)11-16-14-9-4-3-5-10-14;1-8-5-4-6-9(10(8)18)7-14-11-15-12(19-2)17-13(16-11)20-3;1-8-5-4-6-11(12(8)18)7-14-13-16-9(2)15-10(3)17-13;1-8-3-2-4-9(10(8)16)5-13-11-14-6-12-7-15-11/h1-12,18,20H;2*1-12,19H;3-11,18H,1H2,2H3;2-6,8-12,18H,1,7H2;1-8,23H;1,3-11,17H;4-7,18H,1-3H3;4-7,18H,1-3H3;2-7,16H,1H3/b19-12+;2*18-12+;17-11+;17-12+;22-8+;16-11+;;;.
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol has a molecular weight of 2564.86 g/mol, XLogP of 35.31, 28 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol is sourced from PubChem (CID 160867702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).