diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane

C34H36O2P2 — CID 174371985

IUPACdiphenylphosphane;diphenylphosphorylbenzene;ethoxyethane
SMILESCCOCC.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C18H15OP.C12H11P.C4H10O/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-4-2/h1-15H;1-10,13H;3-4H2,1-2H3
InChIKeyUEVJNOWORHFUFZ-UHFFFAOYSA-N
MW538.61 g/mol
LogP6.68
Rot. Bonds7

About diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane

diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane (PubChem CID 174371985) has the molecular formula C34H36O2P2 and a molecular weight of 538.61 g/mol. Its IUPAC name is diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane.

Molecular Properties

Compound Namediphenylphosphane;diphenylphosphorylbenzene;ethoxyethane
PubChem CID174371985
Molecular FormulaC34H36O2P2
Molecular Weight538.61 g/mol
Exact Mass538.22
IUPAC Namediphenylphosphane;diphenylphosphorylbenzene;ethoxyethane
SMILESCCOCC.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C18H15OP.C12H11P.C4H10O/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-4-2/h1-15H;1-10,13H;3-4H2,1-2H3
InChIKeyUEVJNOWORHFUFZ-UHFFFAOYSA-N
XLogP6.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 56.68
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

diphenylphosphorylbenzene;terbium
CID 86595283
bis(diphenylphosphane);ethanol
CID 175242741
diphenylphosphane;ethylphosphane
CID 158116406
[2-ethoxyethyl(phenyl)phosphoryl]benzene
CID 2304634
1-diphenylphosphoryl-3-ethoxybenzene
CID 148706452
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974
diphenylphosphane;triethoxy(ethyl)silane
CID 67019736
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504

Frequently Asked Questions

What is the IUPAC name of diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane?
The IUPAC name of diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane (CID 174371985) is diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane.
What is the SMILES notation for diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane?
The canonical SMILES for diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane is CCOCC.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane?
The InChIKey is UEVJNOWORHFUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15OP.C12H11P.C4H10O/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-4-2/h1-15H;1-10,13H;3-4H2,1-2H3.
What are the key properties of diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane?
diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane has a molecular weight of 538.61 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;diphenylphosphorylbenzene;ethoxyethane is sourced from PubChem (CID 174371985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).