[2-methylpropyl(phenyl)phosphoryl]benzene

C16H19OP — CID 3047249

IUPAC[2-methylpropyl(phenyl)phosphoryl]benzene
SMILESCC(C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-14(2)13-18(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyHTHUQWLKHLWODH-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.66
Rot. Bonds4

About [2-methylpropyl(phenyl)phosphoryl]benzene

[2-methylpropyl(phenyl)phosphoryl]benzene (PubChem CID 3047249) has the molecular formula C16H19OP and a molecular weight of 258.30 g/mol. Its IUPAC name is [2-methylpropyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[2-methylpropyl(phenyl)phosphoryl]benzene
PubChem CID3047249
Molecular FormulaC16H19OP
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name[2-methylpropyl(phenyl)phosphoryl]benzene
SMILESCC(C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-14(2)13-18(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyHTHUQWLKHLWODH-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.66
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

Triphenylphosphine Oxide
CID 13097
Dimethyldiphenylphosphonium iodide
CID 11099938
((1S,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl)diphenylphosphine oxide
CID 21678144
Butyltriphenylphosphonium bromide
CID 159628
1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
CID 69722
1H-Phosphole, 2,5-dihydro-3-methyl-1-phenyl-, 1-oxide
CID 82053
(Methoxymethyl)diphenylphosphine oxide
CID 78203
Methyldiphenylphosphine oxide
CID 75041
Ethyltriphenylphosphonium iodide
CID 78474
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
Ethyldiphenylphosphine
CID 69082
Dicyclohexylphenylphosphine
CID 80970

Frequently Asked Questions

What is the IUPAC name of [2-methylpropyl(phenyl)phosphoryl]benzene?
The IUPAC name of [2-methylpropyl(phenyl)phosphoryl]benzene (CID 3047249) is [2-methylpropyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [2-methylpropyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [2-methylpropyl(phenyl)phosphoryl]benzene is CC(C)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-methylpropyl(phenyl)phosphoryl]benzene?
The InChIKey is HTHUQWLKHLWODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19OP/c1-14(2)13-18(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of [2-methylpropyl(phenyl)phosphoryl]benzene?
[2-methylpropyl(phenyl)phosphoryl]benzene has a molecular weight of 258.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 3047249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).