1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one

C22H21OP — CID 146507667

IUPAC1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21OP/c1-17(2)22(23)20-15-9-10-16-21(20)24(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17H,1-2H3
InChIKeyDUEFBDGXCICODU-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.28
Rot. Bonds5

About 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one

1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one (PubChem CID 146507667) has the molecular formula C22H21OP and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
PubChem CID146507667
Molecular FormulaC22H21OP
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21OP/c1-17(2)22(23)20-15-9-10-16-21(20)24(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17H,1-2H3
InChIKeyDUEFBDGXCICODU-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one (CID 146507667) is 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one is CC(C)C(=O)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one?
The InChIKey is DUEFBDGXCICODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21OP/c1-17(2)22(23)20-15-9-10-16-21(20)24(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17H,1-2H3.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one?
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one has a molecular weight of 332.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 146507667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).