[(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene

C20H28O2P2 — CID 1378145

IUPAC[(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene
SMILESCCP(=O)(CC)C(C)(C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28O2P2/c1-5-23(21,6-2)20(3,4)17-24(22,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,5-6,17H2,1-4H3
InChIKeyNSVQTFNRKHDEPM-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.18
Rot. Bonds7

About [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene

[(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene (PubChem CID 1378145) has the molecular formula C20H28O2P2 and a molecular weight of 362.39 g/mol. Its IUPAC name is [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene
PubChem CID1378145
Molecular FormulaC20H28O2P2
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name[(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene
SMILESCCP(=O)(CC)C(C)(C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28O2P2/c1-5-23(21,6-2)20(3,4)17-24(22,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,5-6,17H2,1-4H3
InChIKeyNSVQTFNRKHDEPM-UHFFFAOYSA-N
XLogP5.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[ethyl(phenyl)phosphoryl]benzene
CID 59816903
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
2-(diphenylphosphorylmethyl)-3-methoxy-2-methyl-3-oxopropanoic acid
CID 164684544
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
[ethyl(fluoro)phosphoryl]benzene
CID 23415746
N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine
CID 15502817
[(2S,3R)-4-diphenylphosphoryl-2,3-dihydroxy-3-methylbutyl] methanesulfonate
CID 10046409
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
(2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol
CID 10342529
1-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
2-cyclohexa-2,5-dien-1-yl-3-diphenylphosphoryl-2-methylpropan-1-ol
CID 162416925
ethyl 3-diphenylphosphoryl-2-(4-fluorophenyl)-2-hydroxypropanoate
CID 132569334

Frequently Asked Questions

What is the IUPAC name of [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene?
The IUPAC name of [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene (CID 1378145) is [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene.
What is the SMILES notation for [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene?
The canonical SMILES for [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene is CCP(=O)(CC)C(C)(C)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene?
The InChIKey is NSVQTFNRKHDEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2P2/c1-5-23(21,6-2)20(3,4)17-24(22,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,5-6,17H2,1-4H3.
What are the key properties of [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene?
[(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene has a molecular weight of 362.39 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene is sourced from PubChem (CID 1378145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).