1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene

C16H19OP — CID 44633938

IUPAC1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1P(C)(=O)c1ccccc1
InChIInChI=1S/C16H19OP/c1-13(2)15-11-7-8-12-16(15)18(3,17)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyQKWJKHPVNZFTGC-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.75
Rot. Bonds3

About 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene

1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene (PubChem CID 44633938) has the molecular formula C16H19OP and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene
PubChem CID44633938
Molecular FormulaC16H19OP
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1P(C)(=O)c1ccccc1
InChIInChI=1S/C16H19OP/c1-13(2)15-11-7-8-12-16(15)18(3,17)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyQKWJKHPVNZFTGC-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl(phenyl)phosphoryl]-2-phenylbenzene
CID 44633937
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
1-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139122324
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
methyl(phenyl)phosphinic acid;zinc
CID 66618039
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
CID 19764426
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide
CID 132534118
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
1-[[2,3-di(propan-2-yl)phenoxy]-phenylphosphoryl]oxy-2,3-di(propan-2-yl)benzene
CID 118862449

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene?
The IUPAC name of 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene (CID 44633938) is 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene?
The canonical SMILES for 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene is CC(C)c1ccccc1P(C)(=O)c1ccccc1.
What is the InChIKey of 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene?
The InChIKey is QKWJKHPVNZFTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19OP/c1-13(2)15-11-7-8-12-16(15)18(3,17)14-9-5-4-6-10-14/h4-13H,1-3H3.
What are the key properties of 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene?
1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene has a molecular weight of 258.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene is sourced from PubChem (CID 44633938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).