2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol

C48H40N4O6 — CID 159753268

IUPAC2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol
SMILESCOc1ccc(O)c(-c2cccc(-c3cccc(-c4cccc(C)c4O)n3)n2)c1.COc1ccc(O)c(-c2cccc(-c3cccc(-c4cccc(C)c4O)n3)n2)c1
InChIInChI=1S/2C24H20N2O3/c2*1-15-6-3-7-17(24(15)28)19-8-4-10-21(25-19)22-11-5-9-20(26-22)18-14-16(29-2)12-13-23(18)27/h2*3-14,27-28H,1-2H3
InChIKeyNDXSBWZEYAOHTD-UHFFFAOYSA-N
MW768.87 g/mol
LogP10.41
Rot. Bonds8

About 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol

2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol (PubChem CID 159753268) has the molecular formula C48H40N4O6 and a molecular weight of 768.87 g/mol. Its IUPAC name is 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol.

Molecular Properties

Compound Name2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol
PubChem CID159753268
Molecular FormulaC48H40N4O6
Molecular Weight768.87 g/mol
Exact Mass768.29
IUPAC Name2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol
SMILESCOc1ccc(O)c(-c2cccc(-c3cccc(-c4cccc(C)c4O)n3)n2)c1.COc1ccc(O)c(-c2cccc(-c3cccc(-c4cccc(C)c4O)n3)n2)c1
InChIInChI=1S/2C24H20N2O3/c2*1-15-6-3-7-17(24(15)28)19-8-4-10-21(25-19)22-11-5-9-20(26-22)18-14-16(29-2)12-13-23(18)27/h2*3-14,27-28H,1-2H3
InChIKeyNDXSBWZEYAOHTD-UHFFFAOYSA-N
XLogP10.41
TPSA150.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.87
LogP ≤ 510.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate
CID 159382088
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
CID 159050723
4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 1358031
2-[6-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenol;manganese(3+);trichloride
CID 160934491
2-(3-fluoro-2-methylphenyl)-4-methoxyphenol
CID 104707372
2-(2-hydroxy-5-methoxyphenyl)-6-methoxy-4-methylquinolin-7-ol
CID 169413526
2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-6-methoxyphenol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-6-methylphenol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol;5-methoxy-2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-(2-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 159572582
4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 137317421
4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol
CID 137276987
3-[6-[6-(3-hydroxynaphthalen-2-yl)-2-pyridinyl]-2-pyridinyl]naphthalen-2-ol;platinum
CID 135975700
2-(2-chloro-5-methoxyphenyl)-6-methylpyridine;ethane
CID 144911954
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol?
The IUPAC name of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol (CID 159753268) is 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol.
What is the SMILES notation for 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol?
The canonical SMILES for 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol is COc1ccc(O)c(-c2cccc(-c3cccc(-c4cccc(C)c4O)n3)n2)c1.COc1ccc(O)c(-c2cccc(-c3cccc(-c4cccc(C)c4O)n3)n2)c1.
What is the InChIKey of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol?
The InChIKey is NDXSBWZEYAOHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20N2O3/c2*1-15-6-3-7-17(24(15)28)19-8-4-10-21(25-19)22-11-5-9-20(26-22)18-14-16(29-2)12-13-23(18)27/h2*3-14,27-28H,1-2H3.
What are the key properties of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol?
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol has a molecular weight of 768.87 g/mol, XLogP of 10.41, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol is sourced from PubChem (CID 159753268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).