2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium

C19H23NORu — CID 175907003

IUPAC2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium
SMILES[H]/N=C(\c1ccccc1O)c1c(C(C)C)cccc1C(C)C.[Ru]
InChIInChI=1S/C19H23NO.Ru/c1-12(2)14-9-7-10-15(13(3)4)18(14)19(20)16-8-5-6-11-17(16)21;/h5-13,20-21H,1-4H3;/b20-19+;
InChIKeyMWMLCGUEXZQZJJ-RZLHGTIFSA-N
MW382.47 g/mol
LogP5.05
Rot. Bonds4

About 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium

2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium (PubChem CID 175907003) has the molecular formula C19H23NORu and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium
PubChem CID175907003
Molecular FormulaC19H23NORu
Molecular Weight382.47 g/mol
Exact Mass383.08
IUPAC Name2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium
SMILES[H]/N=C(\c1ccccc1O)c1c(C(C)C)cccc1C(C)C.[Ru]
InChIInChI=1S/C19H23NO.Ru/c1-12(2)14-9-7-10-15(13(3)4)18(14)19(20)16-8-5-6-11-17(16)21;/h5-13,20-21H,1-4H3;/b20-19+;
InChIKeyMWMLCGUEXZQZJJ-RZLHGTIFSA-N
XLogP5.05
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropanimidoyl)-6-propan-2-ylphenol
CID 635287
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
lithium;hydride;2-propan-2-ylphenol
CID 175276368
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate
CID 141216683
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
2,6-di(propan-2-yl)phenol;silver
CID 174803720
2-fluoro-3-propan-2-ylphenol
CID 71302551
2-bromo-3-propan-2-ylphenol
CID 23114133

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium?
The IUPAC name of 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium (CID 175907003) is 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium?
The canonical SMILES for 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium is [H]/N=C(\c1ccccc1O)c1c(C(C)C)cccc1C(C)C.[Ru].
What is the InChIKey of 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium?
The InChIKey is MWMLCGUEXZQZJJ-RZLHGTIFSA-N. The full InChI is InChI=1S/C19H23NO.Ru/c1-12(2)14-9-7-10-15(13(3)4)18(14)19(20)16-8-5-6-11-17(16)21;/h5-13,20-21H,1-4H3;/b20-19+;.
What are the key properties of 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium?
2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium has a molecular weight of 382.47 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium is sourced from PubChem (CID 175907003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).