bis(2,4-dimethylphenyl)-phenylphosphane

C22H23P — CID 12046948

IUPACbis(2,4-dimethylphenyl)-phenylphosphane
SMILESCc1ccc(P(c2ccccc2)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C22H23P/c1-16-10-12-21(18(3)14-16)23(20-8-6-5-7-9-20)22-13-11-17(2)15-19(22)4/h5-15H,1-4H3
InChIKeyDHEFKGNOQDYRLI-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.68
Rot. Bonds3

About bis(2,4-dimethylphenyl)-phenylphosphane

bis(2,4-dimethylphenyl)-phenylphosphane (PubChem CID 12046948) has the molecular formula C22H23P and a molecular weight of 318.40 g/mol. Its IUPAC name is bis(2,4-dimethylphenyl)-phenylphosphane.

Molecular Properties

Compound Namebis(2,4-dimethylphenyl)-phenylphosphane
PubChem CID12046948
Molecular FormulaC22H23P
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC Namebis(2,4-dimethylphenyl)-phenylphosphane
SMILESCc1ccc(P(c2ccccc2)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C22H23P/c1-16-10-12-21(18(3)14-16)23(20-8-6-5-7-9-20)22-13-11-17(2)15-19(22)4/h5-15H,1-4H3
InChIKeyDHEFKGNOQDYRLI-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.68
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 bis(2,4-dimethylphenyl)-phenylphosphane?
The IUPAC name of bis(2,4-dimethylphenyl)-phenylphosphane (CID 12046948) is bis(2,4-dimethylphenyl)-phenylphosphane.
What is the SMILES notation for bis(2,4-dimethylphenyl)-phenylphosphane?
The canonical SMILES for bis(2,4-dimethylphenyl)-phenylphosphane is Cc1ccc(P(c2ccccc2)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of bis(2,4-dimethylphenyl)-phenylphosphane?
The InChIKey is DHEFKGNOQDYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P/c1-16-10-12-21(18(3)14-16)23(20-8-6-5-7-9-20)22-13-11-17(2)15-19(22)4/h5-15H,1-4H3.
What are the key properties of bis(2,4-dimethylphenyl)-phenylphosphane?
bis(2,4-dimethylphenyl)-phenylphosphane has a molecular weight of 318.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylphenyl)-phenylphosphane is sourced from PubChem (CID 12046948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).