acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese

C28H28MnN2O4 — CID 135673421

IUPACacetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese
SMILESCC(=O)O.CCc1ccc(O)c(-c2cccc(-c3cccc(-c4cc(CC)ccc4O)n3)n2)c1.[Mn]
InChIInChI=1S/C26H24N2O2.C2H4O2.Mn/c1-3-17-11-13-25(29)19(15-17)21-7-5-9-23(27-21)24-10-6-8-22(28-24)20-16-18(4-2)12-14-26(20)30;1-2(3)4;/h5-16,29-30H,3-4H2,1-2H3;1H3,(H,3,4);
InChIKeySSTQRDJKHDUFRF-UHFFFAOYSA-N
MW511.48 g/mol
LogP6.10
Rot. Bonds5

About acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese

acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese (PubChem CID 135673421) has the molecular formula C28H28MnN2O4 and a molecular weight of 511.48 g/mol. Its IUPAC name is acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese.

Molecular Properties

Compound Nameacetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese
PubChem CID135673421
Molecular FormulaC28H28MnN2O4
Molecular Weight511.48 g/mol
Exact Mass511.14
IUPAC Nameacetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese
SMILESCC(=O)O.CCc1ccc(O)c(-c2cccc(-c3cccc(-c4cc(CC)ccc4O)n3)n2)c1.[Mn]
InChIInChI=1S/C26H24N2O2.C2H4O2.Mn/c1-3-17-11-13-25(29)19(15-17)21-7-5-9-23(27-21)24-10-6-8-22(28-24)20-16-18(4-2)12-14-26(20)30;1-2(3)4;/h5-16,29-30H,3-4H2,1-2H3;1H3,(H,3,4);
InChIKeySSTQRDJKHDUFRF-UHFFFAOYSA-N
XLogP6.10
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.48
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride
CID 158793736
acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane
CID 158800037
3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033
2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol
CID 137013099
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 174420706
4-ethyl-2-(2-hydroxyphenyl)phenol;phenoxyboronic acid
CID 57367536
4-benzyl-2-pyridin-2-ylphenol
CID 141478929
1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 11747586
4-(2,5-diethylphenyl)-5-ethylbenzene-1,2-diol
CID 101302822
2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol
CID 101302876
3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117340012

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese?
The IUPAC name of acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese (CID 135673421) is acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese.
What is the SMILES notation for acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese?
The canonical SMILES for acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese is CC(=O)O.CCc1ccc(O)c(-c2cccc(-c3cccc(-c4cc(CC)ccc4O)n3)n2)c1.[Mn].
What is the InChIKey of acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese?
The InChIKey is SSTQRDJKHDUFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2.C2H4O2.Mn/c1-3-17-11-13-25(29)19(15-17)21-7-5-9-23(27-21)24-10-6-8-22(28-24)20-16-18(4-2)12-14-26(20)30;1-2(3)4;/h5-16,29-30H,3-4H2,1-2H3;1H3,(H,3,4);.
What are the key properties of acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese?
acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese has a molecular weight of 511.48 g/mol, XLogP of 6.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese is sourced from PubChem (CID 135673421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).