1,3-bis[ethyl(phenyl)phosphoryl]benzene

C22H24O2P2 — CID 59816903

IUPAC1,3-bis[ethyl(phenyl)phosphoryl]benzene
SMILESCCP(=O)(c1ccccc1)c1cccc(P(=O)(CC)c2ccccc2)c1
InChIInChI=1S/C22H24O2P2/c1-3-25(23,19-12-7-5-8-13-19)21-16-11-17-22(18-21)26(24,4-2)20-14-9-6-10-15-20/h5-18H,3-4H2,1-2H3
InChIKeyBFDXVUPERSQQFT-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.35
Rot. Bonds6

About 1,3-bis[ethyl(phenyl)phosphoryl]benzene

1,3-bis[ethyl(phenyl)phosphoryl]benzene (PubChem CID 59816903) has the molecular formula C22H24O2P2 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1,3-bis[ethyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name1,3-bis[ethyl(phenyl)phosphoryl]benzene
PubChem CID59816903
Molecular FormulaC22H24O2P2
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name1,3-bis[ethyl(phenyl)phosphoryl]benzene
SMILESCCP(=O)(c1ccccc1)c1cccc(P(=O)(CC)c2ccccc2)c1
InChIInChI=1S/C22H24O2P2/c1-3-25(23,19-12-7-5-8-13-19)21-16-11-17-22(18-21)26(24,4-2)20-14-9-6-10-15-20/h5-18H,3-4H2,1-2H3
InChIKeyBFDXVUPERSQQFT-UHFFFAOYSA-N
XLogP4.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.35
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

[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
[ethyl(fluoro)phosphoryl]benzene
CID 23415746
[(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene
CID 1378145
1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene
CID 59426989
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
1-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene
CID 172716413
diphenylphosphorylmethyl-diethyl-methylazanium iodide
CID 44889918
[2-ethoxyethyl(phenyl)phosphoryl]benzene
CID 2304634
2,5-bis(diphenylphosphorylmethyl)-1H-pyrrole
CID 102311609
1,3-bis(dibutylphosphoryl)benzene
CID 23418369
1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene
CID 2776719

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[ethyl(phenyl)phosphoryl]benzene?
The IUPAC name of 1,3-bis[ethyl(phenyl)phosphoryl]benzene (CID 59816903) is 1,3-bis[ethyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for 1,3-bis[ethyl(phenyl)phosphoryl]benzene?
The canonical SMILES for 1,3-bis[ethyl(phenyl)phosphoryl]benzene is CCP(=O)(c1ccccc1)c1cccc(P(=O)(CC)c2ccccc2)c1.
What is the InChIKey of 1,3-bis[ethyl(phenyl)phosphoryl]benzene?
The InChIKey is BFDXVUPERSQQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2P2/c1-3-25(23,19-12-7-5-8-13-19)21-16-11-17-22(18-21)26(24,4-2)20-14-9-6-10-15-20/h5-18H,3-4H2,1-2H3.
What are the key properties of 1,3-bis[ethyl(phenyl)phosphoryl]benzene?
1,3-bis[ethyl(phenyl)phosphoryl]benzene has a molecular weight of 382.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[ethyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 59816903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).