chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride

C22H28ClCrO2P — CID 87866037

IUPACchromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride
SMILESCc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cl.Pc1ccccc1.[Cr]
InChIInChI=1S/2C8H10O.C6H7P.ClH.Cr/c2*1-6-3-4-8(9)7(2)5-6;7-6-4-2-1-3-5-6;;/h2*3-5,9H,1-2H3;1-5H,7H2;1H;
InChIKeySLTQAVGAMHNOLI-UHFFFAOYSA-N
MW442.89 g/mol
LogP5.62
Rot. Bonds

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

chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride (PubChem CID 87866037) has the molecular formula C22H28ClCrO2P and a molecular weight of 442.89 g/mol. Its IUPAC name is chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride.

Molecular Properties

Compound Namechromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride
PubChem CID87866037
Molecular FormulaC22H28ClCrO2P
Molecular Weight442.89 g/mol
Exact Mass442.09
IUPAC Namechromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride
SMILESCc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cl.Pc1ccccc1.[Cr]
InChIInChI=1S/2C8H10O.C6H7P.ClH.Cr/c2*1-6-3-4-8(9)7(2)5-6;7-6-4-2-1-3-5-6;;/h2*3-5,9H,1-2H3;1-5H,7H2;1H;
InChIKeySLTQAVGAMHNOLI-UHFFFAOYSA-N
XLogP5.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.89
LogP ≤ 55.62
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
tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
CID 87866072
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
CID 172763014
CID 172763014
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
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
phenylphosphane;hydrochloride
CID 172838104
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818

Frequently Asked Questions

What is the IUPAC name of chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride?
The IUPAC name of chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride (CID 87866037) is chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride.
What is the SMILES notation for chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride?
The canonical SMILES for chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride is Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cl.Pc1ccccc1.[Cr].
What is the InChIKey of chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride?
The InChIKey is SLTQAVGAMHNOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O.C6H7P.ClH.Cr/c2*1-6-3-4-8(9)7(2)5-6;7-6-4-2-1-3-5-6;;/h2*3-5,9H,1-2H3;1-5H,7H2;1H;.
What are the key properties of chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride?
chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride has a molecular weight of 442.89 g/mol, XLogP of 5.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride is sourced from PubChem (CID 87866037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).