2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate

C30H29MnN2O10 — CID 159382088

IUPAC2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].COc1ccc(O)c(-c2cccc(-c3cccc(-c4cc(OC)ccc4O)n3)n2)c1.[Mn+3]
InChIInChI=1S/C24H20N2O4.3C2H4O2.Mn/c1-29-15-9-11-23(27)17(13-15)19-5-3-7-21(25-19)22-8-4-6-20(26-22)18-14-16(30-2)10-12-24(18)28;3*1-2(3)4;/h3-14,27-28H,1-2H3;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyLLARSTGQHMVBEO-UHFFFAOYSA-K
MW632.50 g/mol
LogP1.17
Rot. Bonds5

About 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate

2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate (PubChem CID 159382088) has the molecular formula C30H29MnN2O10 and a molecular weight of 632.50 g/mol. Its IUPAC name is 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate.

Molecular Properties

Compound Name2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate
PubChem CID159382088
Molecular FormulaC30H29MnN2O10
Molecular Weight632.50 g/mol
Exact Mass632.12
IUPAC Name2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].COc1ccc(O)c(-c2cccc(-c3cccc(-c4cc(OC)ccc4O)n3)n2)c1.[Mn+3]
InChIInChI=1S/C24H20N2O4.3C2H4O2.Mn/c1-29-15-9-11-23(27)17(13-15)19-5-3-7-21(25-19)22-8-4-6-20(26-22)18-14-16(30-2)10-12-24(18)28;3*1-2(3)4;/h3-14,27-28H,1-2H3;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyLLARSTGQHMVBEO-UHFFFAOYSA-K
XLogP1.17
TPSA205.09 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.50
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol
CID 159753268
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
CID 159050723
2-[6-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenol;manganese(3+);trichloride
CID 160934491
acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese
CID 135673421
acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane
CID 158800037
4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 137317421
4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride
CID 158793736
ethyl (Z)-3-ethoxy-3-[[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]amino]-2-methanimidoylprop-2-enoate
CID 139353122
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-[6-[6-(2-hydroxy-4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol
CID 135544149
4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 1358031

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate?
The IUPAC name of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate (CID 159382088) is 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate.
What is the SMILES notation for 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate?
The canonical SMILES for 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].COc1ccc(O)c(-c2cccc(-c3cccc(-c4cc(OC)ccc4O)n3)n2)c1.[Mn+3].
What is the InChIKey of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate?
The InChIKey is LLARSTGQHMVBEO-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H20N2O4.3C2H4O2.Mn/c1-29-15-9-11-23(27)17(13-15)19-5-3-7-21(25-19)22-8-4-6-20(26-22)18-14-16(30-2)10-12-24(18)28;3*1-2(3)4;/h3-14,27-28H,1-2H3;3*1H3,(H,3,4);/q;;;;+3/p-3.
What are the key properties of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate?
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate has a molecular weight of 632.50 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate is sourced from PubChem (CID 159382088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).