1-diethoxyphosphoryl-4-phenylbenzene

C16H19O3P — CID 12670613

IUPAC1-diethoxyphosphoryl-4-phenylbenzene
SMILESCCOP(=O)(OCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19O3P/c1-3-18-20(17,19-4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyNRNHMOSFLPYBKL-UHFFFAOYSA-N
MW290.30 g/mol
LogP4.24
Rot. Bonds6

About 1-diethoxyphosphoryl-4-phenylbenzene

1-diethoxyphosphoryl-4-phenylbenzene (PubChem CID 12670613) has the molecular formula C16H19O3P and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-4-phenylbenzene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-4-phenylbenzene
PubChem CID12670613
Molecular FormulaC16H19O3P
Molecular Weight290.30 g/mol
Exact Mass290.11
IUPAC Name1-diethoxyphosphoryl-4-phenylbenzene
SMILESCCOP(=O)(OCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19O3P/c1-3-18-20(17,19-4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyNRNHMOSFLPYBKL-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
dipropoxyphosphorylbenzene
CID 11736632
2-(4-diethoxyphosphorylphenyl)acetic acid
CID 87462218
4-diethoxyphosphoryl-N-ethylaniline
CID 23415640
4-diethoxyphosphorylbenzonitrile
CID 3613497
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene
CID 14298647
2-(4-diethoxyphosphorylphenyl)-4-methylpyridine
CID 138627774
4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-4-phenylbenzene?
The IUPAC name of 1-diethoxyphosphoryl-4-phenylbenzene (CID 12670613) is 1-diethoxyphosphoryl-4-phenylbenzene.
What is the SMILES notation for 1-diethoxyphosphoryl-4-phenylbenzene?
The canonical SMILES for 1-diethoxyphosphoryl-4-phenylbenzene is CCOP(=O)(OCC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-diethoxyphosphoryl-4-phenylbenzene?
The InChIKey is NRNHMOSFLPYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O3P/c1-3-18-20(17,19-4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-4-phenylbenzene?
1-diethoxyphosphoryl-4-phenylbenzene has a molecular weight of 290.30 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-4-phenylbenzene is sourced from PubChem (CID 12670613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).