bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol

C27H38N2O — CID 161345551

IUPACbis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol
SMILESCC(C)c1ccccc1O.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1
InChIInChI=1S/2C9H13N.C9H12O/c2*1-7(2)9-4-5-10-8(3)6-9;1-7(2)8-5-3-4-6-9(8)10/h2*4-7H,1-3H3;3-7,10H,1-2H3
InChIKeyVNFYVKVALODPSJ-UHFFFAOYSA-N
MW406.61 g/mol
LogP7.54
Rot. Bonds3

About bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol

bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol (PubChem CID 161345551) has the molecular formula C27H38N2O and a molecular weight of 406.61 g/mol. Its IUPAC name is bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol.

Molecular Properties

Compound Namebis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol
PubChem CID161345551
Molecular FormulaC27H38N2O
Molecular Weight406.61 g/mol
Exact Mass406.30
IUPAC Namebis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol
SMILESCC(C)c1ccccc1O.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1
InChIInChI=1S/2C9H13N.C9H12O/c2*1-7(2)9-4-5-10-8(3)6-9;1-7(2)8-5-3-4-6-9(8)10/h2*4-7H,1-3H3;3-7,10H,1-2H3
InChIKeyVNFYVKVALODPSJ-UHFFFAOYSA-N
XLogP7.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
lithium;hydride;2-propan-2-ylphenol
CID 175276368
(S)-(2-methyl-4-pyridinyl)-phenylmethanol
CID 122230271
2,4-di(propan-2-yl)phenol
CID 18048
(1S,2R)-2-amino-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 96740451
(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
CID 55295314
methane;phenol;bis(2-propan-2-ylphenol)
CID 162153244
(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 106756171
(1R)-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-ol
CID 67015665
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
hexakis(carbon dioxide);bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine
CID 158081858

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol?
The IUPAC name of bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol (CID 161345551) is bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol.
What is the SMILES notation for bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol?
The canonical SMILES for bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol is CC(C)c1ccccc1O.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.
What is the InChIKey of bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol?
The InChIKey is VNFYVKVALODPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13N.C9H12O/c2*1-7(2)9-4-5-10-8(3)6-9;1-7(2)8-5-3-4-6-9(8)10/h2*4-7H,1-3H3;3-7,10H,1-2H3.
What are the key properties of bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol?
bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol has a molecular weight of 406.61 g/mol, XLogP of 7.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol is sourced from PubChem (CID 161345551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).