dipropoxyphosphorylbenzene

C12H19O3P — CID 11736632

IUPACdipropoxyphosphorylbenzene
SMILESCCCOP(=O)(OCCC)c1ccccc1
InChIInChI=1S/C12H19O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyPXGLYSITKOROKV-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.36
Rot. Bonds7

About dipropoxyphosphorylbenzene

dipropoxyphosphorylbenzene (PubChem CID 11736632) has the molecular formula C12H19O3P and a molecular weight of 242.25 g/mol. Its IUPAC name is dipropoxyphosphorylbenzene.

Molecular Properties

Compound Namedipropoxyphosphorylbenzene
PubChem CID11736632
Molecular FormulaC12H19O3P
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Namedipropoxyphosphorylbenzene
SMILESCCCOP(=O)(OCCC)c1ccccc1
InChIInChI=1S/C12H19O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyPXGLYSITKOROKV-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.36
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

di(tridecoxy)phosphorylbenzene
CID 87531060
1-chloro-4-dipropoxyphosphorylbenzene
CID 86198706
3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
CID 134483895
[octan-4-yloxy(propoxy)phosphoryl]benzene
CID 91723301
[2-methylpropoxy(tridecoxy)phosphoryl]benzene
CID 91723456
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
1-[methoxy(propoxy)phosphoryl]-4-methylbenzene
CID 150763213
2-[2-[ethoxy(phenyl)phosphoryl]oxyethyl]-2-phenyl-1,3-dioxolane
CID 20710205
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
[butoxy(fluoro)phosphoryl]benzene
CID 23235617

Frequently Asked Questions

What is the IUPAC name of dipropoxyphosphorylbenzene?
The IUPAC name of dipropoxyphosphorylbenzene (CID 11736632) is dipropoxyphosphorylbenzene.
What is the SMILES notation for dipropoxyphosphorylbenzene?
The canonical SMILES for dipropoxyphosphorylbenzene is CCCOP(=O)(OCCC)c1ccccc1.
What is the InChIKey of dipropoxyphosphorylbenzene?
The InChIKey is PXGLYSITKOROKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of dipropoxyphosphorylbenzene?
dipropoxyphosphorylbenzene has a molecular weight of 242.25 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxyphosphorylbenzene is sourced from PubChem (CID 11736632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).