tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride

C20H32ClCrO2P — CID 87866072

IUPACtert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
SMILESCC(C)(C)P.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cl.[Cr]
InChIInChI=1S/2C8H10O.C4H11P.ClH.Cr/c2*1-6-3-4-8(9)7(2)5-6;1-4(2,3)5;;/h2*3-5,9H,1-2H3;5H2,1-3H3;1H;
InChIKeyUJFZCFVXCSQFOF-UHFFFAOYSA-N
MW422.90 g/mol
LogP6.10
Rot. Bonds

About tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride

tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride (PubChem CID 87866072) has the molecular formula C20H32ClCrO2P and a molecular weight of 422.90 g/mol. Its IUPAC name is tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride.

Molecular Properties

Compound Nametert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
PubChem CID87866072
Molecular FormulaC20H32ClCrO2P
Molecular Weight422.90 g/mol
Exact Mass422.12
IUPAC Nametert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
SMILESCC(C)(C)P.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cl.[Cr]
InChIInChI=1S/2C8H10O.C4H11P.ClH.Cr/c2*1-6-3-4-8(9)7(2)5-6;1-4(2,3)5;;/h2*3-5,9H,1-2H3;5H2,1-3H3;1H;
InChIKeyUJFZCFVXCSQFOF-UHFFFAOYSA-N
XLogP6.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.90
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylphenol
CID 67713801
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
CID 172763014
CID 172763014
chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride
CID 87866037
2,3-dimethylphenol;2,4-dimethylphenol
CID 67827029
tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
CID 71332905
2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
CID 142839370
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
2,4-dimethylphenol;1-methylpyrrolidine
CID 171834752
bis(2,5-dimethylphenol);dihydrochloride
CID 70596946

Frequently Asked Questions

What is the IUPAC name of tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride?
The IUPAC name of tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride (CID 87866072) is tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride.
What is the SMILES notation for tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride?
The canonical SMILES for tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride is CC(C)(C)P.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cl.[Cr].
What is the InChIKey of tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride?
The InChIKey is UJFZCFVXCSQFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O.C4H11P.ClH.Cr/c2*1-6-3-4-8(9)7(2)5-6;1-4(2,3)5;;/h2*3-5,9H,1-2H3;5H2,1-3H3;1H;.
What are the key properties of tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride?
tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride has a molecular weight of 422.90 g/mol, XLogP of 6.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride is sourced from PubChem (CID 87866072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).