[propoxy(prop-2-ynyl)phosphoryl]oxybenzene

C12H15O3P — CID 91062587

IUPAC[propoxy(prop-2-ynyl)phosphoryl]oxybenzene
SMILESC#CCP(=O)(OCCC)Oc1ccccc1
InChIInChI=1S/C12H15O3P/c1-3-10-14-16(13,11-4-2)15-12-8-6-5-7-9-12/h2,5-9H,3,10-11H2,1H3
InChIKeyIMHJPNXKJQSTCL-UHFFFAOYSA-N
MW238.22 g/mol
LogP3.32
Rot. Bonds6

About [propoxy(prop-2-ynyl)phosphoryl]oxybenzene

[propoxy(prop-2-ynyl)phosphoryl]oxybenzene (PubChem CID 91062587) has the molecular formula C12H15O3P and a molecular weight of 238.22 g/mol. Its IUPAC name is [propoxy(prop-2-ynyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[propoxy(prop-2-ynyl)phosphoryl]oxybenzene
PubChem CID91062587
Molecular FormulaC12H15O3P
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name[propoxy(prop-2-ynyl)phosphoryl]oxybenzene
SMILESC#CCP(=O)(OCCC)Oc1ccccc1
InChIInChI=1S/C12H15O3P/c1-3-10-14-16(13,11-4-2)15-12-8-6-5-7-9-12/h2,5-9H,3,10-11H2,1H3
InChIKeyIMHJPNXKJQSTCL-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[chloromethyl(pentoxy)phosphoryl]oxybenzene
CID 163137726
[chloromethyl(nonoxy)phosphoryl]oxybenzene
CID 163168049
dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate
CID 3058504
[butyl(methoxy)phosphoryl]oxybenzene
CID 125474824
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
phenyl dipropoxyphosphorylmethanesulfonate
CID 21323898
prop-2-ynyl diphenoxyphosphorylmethanesulfonate
CID 90310136
hexyl diphenyl phosphate
CID 13389453
heptyl pentyl phenyl phosphate
CID 21454681

Frequently Asked Questions

What is the IUPAC name of [propoxy(prop-2-ynyl)phosphoryl]oxybenzene?
The IUPAC name of [propoxy(prop-2-ynyl)phosphoryl]oxybenzene (CID 91062587) is [propoxy(prop-2-ynyl)phosphoryl]oxybenzene.
What is the SMILES notation for [propoxy(prop-2-ynyl)phosphoryl]oxybenzene?
The canonical SMILES for [propoxy(prop-2-ynyl)phosphoryl]oxybenzene is C#CCP(=O)(OCCC)Oc1ccccc1.
What is the InChIKey of [propoxy(prop-2-ynyl)phosphoryl]oxybenzene?
The InChIKey is IMHJPNXKJQSTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O3P/c1-3-10-14-16(13,11-4-2)15-12-8-6-5-7-9-12/h2,5-9H,3,10-11H2,1H3.
What are the key properties of [propoxy(prop-2-ynyl)phosphoryl]oxybenzene?
[propoxy(prop-2-ynyl)phosphoryl]oxybenzene has a molecular weight of 238.22 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [propoxy(prop-2-ynyl)phosphoryl]oxybenzene is sourced from PubChem (CID 91062587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).