benzhydryl-chloro-(2,6-dimethylphenyl)phosphane

C21H20ClP — CID 13256139

IUPACbenzhydryl-chloro-(2,6-dimethylphenyl)phosphane
SMILESCc1cccc(C)c1P(Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20ClP/c1-16-10-9-11-17(2)20(16)23(22)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-15,21H,1-2H3
InChIKeyJWKVBSJXTQXNAB-UHFFFAOYSA-N
MW338.82 g/mol
LogP6.35
Rot. Bonds4

About benzhydryl-chloro-(2,6-dimethylphenyl)phosphane

benzhydryl-chloro-(2,6-dimethylphenyl)phosphane (PubChem CID 13256139) has the molecular formula C21H20ClP and a molecular weight of 338.82 g/mol. Its IUPAC name is benzhydryl-chloro-(2,6-dimethylphenyl)phosphane.

Molecular Properties

Compound Namebenzhydryl-chloro-(2,6-dimethylphenyl)phosphane
PubChem CID13256139
Molecular FormulaC21H20ClP
Molecular Weight338.82 g/mol
Exact Mass338.10
IUPAC Namebenzhydryl-chloro-(2,6-dimethylphenyl)phosphane
SMILESCc1cccc(C)c1P(Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20ClP/c1-16-10-9-11-17(2)20(16)23(22)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-15,21H,1-2H3
InChIKeyJWKVBSJXTQXNAB-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 56.35
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 benzhydryl-chloro-(2,6-dimethylphenyl)phosphane?
The IUPAC name of benzhydryl-chloro-(2,6-dimethylphenyl)phosphane (CID 13256139) is benzhydryl-chloro-(2,6-dimethylphenyl)phosphane.
What is the SMILES notation for benzhydryl-chloro-(2,6-dimethylphenyl)phosphane?
The canonical SMILES for benzhydryl-chloro-(2,6-dimethylphenyl)phosphane is Cc1cccc(C)c1P(Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-chloro-(2,6-dimethylphenyl)phosphane?
The InChIKey is JWKVBSJXTQXNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClP/c1-16-10-9-11-17(2)20(16)23(22)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-15,21H,1-2H3.
What are the key properties of benzhydryl-chloro-(2,6-dimethylphenyl)phosphane?
benzhydryl-chloro-(2,6-dimethylphenyl)phosphane has a molecular weight of 338.82 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-chloro-(2,6-dimethylphenyl)phosphane is sourced from PubChem (CID 13256139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).