chlorogold;tris(2-methylphenyl)phosphane

C21H21AuClP — CID 15397758

IUPACchlorogold;tris(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Au]
InChIInChI=1S/C21H21P.Au.ClH/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;;1H/q;+1;/p-1
InChIKeyVECXLHSTZNCQLD-UHFFFAOYSA-M
MW536.79 g/mol
LogP5.06
Rot. Bonds3

About chlorogold;tris(2-methylphenyl)phosphane

chlorogold;tris(2-methylphenyl)phosphane (PubChem CID 15397758) has the molecular formula C21H21AuClP and a molecular weight of 536.79 g/mol. Its IUPAC name is chlorogold;tris(2-methylphenyl)phosphane.

Molecular Properties

Compound Namechlorogold;tris(2-methylphenyl)phosphane
PubChem CID15397758
Molecular FormulaC21H21AuClP
Molecular Weight536.79 g/mol
Exact Mass536.07
IUPAC Namechlorogold;tris(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Au]
InChIInChI=1S/C21H21P.Au.ClH/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;;1H/q;+1;/p-1
InChIKeyVECXLHSTZNCQLD-UHFFFAOYSA-M
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.79
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorogold;tris(2-methylphenyl)phosphane?
The IUPAC name of chlorogold;tris(2-methylphenyl)phosphane (CID 15397758) is chlorogold;tris(2-methylphenyl)phosphane.
What is the SMILES notation for chlorogold;tris(2-methylphenyl)phosphane?
The canonical SMILES for chlorogold;tris(2-methylphenyl)phosphane is Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Au].
What is the InChIKey of chlorogold;tris(2-methylphenyl)phosphane?
The InChIKey is VECXLHSTZNCQLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21P.Au.ClH/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;;1H/q;+1;/p-1.
What are the key properties of chlorogold;tris(2-methylphenyl)phosphane?
chlorogold;tris(2-methylphenyl)phosphane has a molecular weight of 536.79 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;tris(2-methylphenyl)phosphane is sourced from PubChem (CID 15397758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).