2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol

C164H133N15O11S — CID 162081757

IUPAC2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol
SMILESC#Cc1cccc(/C=N/c2ccccc2)c1O.C=C(C)c1cccc(/C=N/c2ccccc2)c1O.C=CCc1cccc(/C=N/c2ccccc2)c1O.Oc1c(/C=N/c2ccccc2)cccc1-c1ccc[nH]1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccccn1.Oc1c(/C=N/c2ccccc2)cccc1-c1cccnc1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccco1.Oc1c(/C=N/c2ccccc2)cccc1-c1cccs1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccncc1.Oc1ccccc1C=Nc1ccccn1
InChIInChI=1S/3C18H14N2O.C17H14N2O.C17H13NO2.C17H13NOS.2C16H15NO.C15H11NO.C12H10N2O/c21-18-15(13-20-16-8-2-1-3-9-16)6-4-10-17(18)14-7-5-11-19-12-14;21-18-14(13-20-15-8-2-1-3-9-15)7-6-10-16(18)17-11-4-5-12-19-17;21-18-15(13-20-16-6-2-1-3-7-16)5-4-8-17(18)14-9-11-19-12-10-14;20-17-13(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;1-2-12-7-6-8-13(15(12)17)11-16-14-9-4-3-5-10-14;15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12/h3*1-13,21H;1-12,18,20H;2*1-12,19H;3-11,18H,1H2,2H3;2-6,8-12,18H,1,7H2;1,3-11,17H;1-9,15H/b3*20-13+;19-12+;2*18-12+;17-11+;17-12+;16-11+;
InChIKeyZCKZBQYYPRBUSN-DNYDCNNSSA-N
MW2522.03 g/mol
LogP39.74
Rot. Bonds29

About 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol

2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol (PubChem CID 162081757) has the molecular formula C164H133N15O11S and a molecular weight of 2522.03 g/mol. Its IUPAC name is 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol
PubChem CID162081757
Molecular FormulaC164H133N15O11S
Molecular Weight2522.03 g/mol
Exact Mass2520.00
IUPAC Name2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol
SMILESC#Cc1cccc(/C=N/c2ccccc2)c1O.C=C(C)c1cccc(/C=N/c2ccccc2)c1O.C=CCc1cccc(/C=N/c2ccccc2)c1O.Oc1c(/C=N/c2ccccc2)cccc1-c1ccc[nH]1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccccn1.Oc1c(/C=N/c2ccccc2)cccc1-c1cccnc1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccco1.Oc1c(/C=N/c2ccccc2)cccc1-c1cccs1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccncc1.Oc1ccccc1C=Nc1ccccn1
InChIInChI=1S/3C18H14N2O.C17H14N2O.C17H13NO2.C17H13NOS.2C16H15NO.C15H11NO.C12H10N2O/c21-18-15(13-20-16-8-2-1-3-9-16)6-4-10-17(18)14-7-5-11-19-12-14;21-18-14(13-20-15-8-2-1-3-9-15)7-6-10-16(18)17-11-4-5-12-19-17;21-18-15(13-20-16-6-2-1-3-7-16)5-4-8-17(18)14-9-11-19-12-10-14;20-17-13(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;1-2-12-7-6-8-13(15(12)17)11-16-14-9-4-3-5-10-14;15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12/h3*1-13,21H;1-12,18,20H;2*1-12,19H;3-11,18H,1H2,2H3;2-6,8-12,18H,1,7H2;1,3-11,17H;1-9,15H/b3*20-13+;19-12+;2*18-12+;17-11+;17-12+;16-11+;
InChIKeyZCKZBQYYPRBUSN-DNYDCNNSSA-N
XLogP39.74
TPSA406.39 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002522.03
LogP ≤ 539.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

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-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol?
The IUPAC name of 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol (CID 162081757) is 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol.
What is the SMILES notation for 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol?
The canonical SMILES for 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol is C#Cc1cccc(/C=N/c2ccccc2)c1O.C=C(C)c1cccc(/C=N/c2ccccc2)c1O.C=CCc1cccc(/C=N/c2ccccc2)c1O.Oc1c(/C=N/c2ccccc2)cccc1-c1ccc[nH]1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccccn1.Oc1c(/C=N/c2ccccc2)cccc1-c1cccnc1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccco1.Oc1c(/C=N/c2ccccc2)cccc1-c1cccs1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccncc1.Oc1ccccc1C=Nc1ccccn1.
What is the InChIKey of 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol?
The InChIKey is ZCKZBQYYPRBUSN-DNYDCNNSSA-N. The full InChI is InChI=1S/3C18H14N2O.C17H14N2O.C17H13NO2.C17H13NOS.2C16H15NO.C15H11NO.C12H10N2O/c21-18-15(13-20-16-8-2-1-3-9-16)6-4-10-17(18)14-7-5-11-19-12-14;21-18-14(13-20-15-8-2-1-3-9-15)7-6-10-16(18)17-11-4-5-12-19-17;21-18-15(13-20-16-6-2-1-3-7-16)5-4-8-17(18)14-9-11-19-12-10-14;20-17-13(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;1-2-12-7-6-8-13(15(12)17)11-16-14-9-4-3-5-10-14;15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12/h3*1-13,21H;1-12,18,20H;2*1-12,19H;3-11,18H,1H2,2H3;2-6,8-12,18H,1,7H2;1,3-11,17H;1-9,15H/b3*20-13+;19-12+;2*18-12+;17-11+;17-12+;16-11+;.
What are the key properties of 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol?
2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol has a molecular weight of 2522.03 g/mol, XLogP of 39.74, 29 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-6-(phenyliminomethyl)phenol;2-(furan-2-yl)-6-(phenyliminomethyl)phenol;2-(phenyliminomethyl)-6-prop-1-en-2-ylphenol;2-(phenyliminomethyl)-6-prop-2-enylphenol;2-(phenyliminomethyl)-6-pyridin-2-ylphenol;2-(phenyliminomethyl)-6-pyridin-3-ylphenol;2-(phenyliminomethyl)-6-pyridin-4-ylphenol;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol;2-(phenyliminomethyl)-6-thiophen-2-ylphenol;2-(pyridin-2-yliminomethyl)phenol is sourced from PubChem (CID 162081757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).