Bis(3,5-dimethylphenyl)phosphine oxide

• Catalog Number: ACM187344929
• Product Name: Bis(3,5-dimethylphenyl)phosphine oxide
• CAS: 187344-92-9
• Category: Organic Phosphine Compounds
• Synonyms: 3-(4-Nitrophenyl)-beta-alanine; 9774AA; ANW-41891; AK-49521; KSC496C0H; Phosphine oxide, bis(3,5-dimethylphenyl)-; AWAYSUMOANJULO-UHFFFAOYSA-N; SC-73189; 187344-92-9; DT1316
• IUPAC Name: bis(3,5-dimethylphenyl)-oxophosphanium
• Molecular Weight: 257.293g/mol
• Molecular Formula: C16H18OP+
• Canonical SMILES: CC1=CC(=CC(=C1)[P+](=O)C2=CC(=CC(=C2)C)C)C
• InChI: InChI=1S/C16H18OP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3/q+1
• InChI Key: LMXRTXPFJNGAAX-UHFFFAOYSA-N
• Application: suzuki reaction
• Complexity: 254
• Covalently-Bonded Unit Count: 1
• Exact Mass: 257.11g/mol
• Formal Charge: 1
• H-Bond Acceptor: 1
• Heavy Atom Count: 18
• Monoisotopic Mass: 257.11g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 17.1A^2

Custom Q&A

What is the PubChem CID for bis(3,5-dimethylphenyl)phosphine oxide?

The PubChem CID for bis(3,5-dimethylphenyl)phosphine oxide is 12022244.

What is the molecular formula of bis(3,5-dimethylphenyl)phosphine oxide?

The molecular formula of bis(3,5-dimethylphenyl)phosphine oxide is C16H18OP+.

What is the molecular weight of bis(3,5-dimethylphenyl)phosphine oxide?

The molecular weight of bis(3,5-dimethylphenyl)phosphine oxide is 257.29 g/mol.

What is the IUPAC name of bis(3,5-dimethylphenyl)phosphine oxide?

The IUPAC name of bis(3,5-dimethylphenyl)phosphine oxide is bis(3,5-dimethylphenyl)-oxophosphanium.

What is the InChI of bis(3,5-dimethylphenyl)phosphine oxide?

The InChI of bis(3,5-dimethylphenyl)phosphine oxide is InChI=1S/C16H18OP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3/q+1.

What is the InChIKey of bis(3,5-dimethylphenyl)phosphine oxide?

The InChIKey of bis(3,5-dimethylphenyl)phosphine oxide is LMXRTXPFJNGAAX-UHFFFAOYSA-N.

What is the canonical SMILES of bis(3,5-dimethylphenyl)phosphine oxide?

The canonical SMILES of bis(3,5-dimethylphenyl)phosphine oxide is CC1=CC(=CC(=C1)[P+](=O)C2=CC(=CC(=C2)C)C).

What is the CAS number of bis(3,5-dimethylphenyl)phosphine oxide?

The CAS number of bis(3,5-dimethylphenyl)phosphine oxide is 187344-92-9.

What is the XLogP3-AA value of bis(3,5-dimethylphenyl)phosphine oxide?

The XLogP3-AA value of bis(3,5-dimethylphenyl)phosphine oxide is 3.9.

Is bis(3,5-dimethylphenyl)phosphine oxide a canonicalized compound?

Yes, bis(3,5-dimethylphenyl)phosphine oxide is a canonicalized compound.