[phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene

C16H17O3P — CID 71387849

IUPAC[phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene
SMILESC=C(C)OP(=O)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c1-14(2)19-20(17,16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-12H,1,13H2,2H3
InChIKeyMOGBPKOUUYFNOI-UHFFFAOYSA-N
MW288.28 g/mol
LogP4.27
Rot. Bonds6

About [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene

[phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene (PubChem CID 71387849) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene
PubChem CID71387849
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name[phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene
SMILESC=C(C)OP(=O)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c1-14(2)19-20(17,16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-12H,1,13H2,2H3
InChIKeyMOGBPKOUUYFNOI-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene
CID 101025197
bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
CID 10778014
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
dibenzyl hydrogen phosphate;silver
CID 85301331
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
benzyl bis(ethenyl) phosphate
CID 141056267
[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
CID 88790998
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848

Frequently Asked Questions

What is the IUPAC name of [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene?
The IUPAC name of [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene (CID 71387849) is [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene?
The canonical SMILES for [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene is C=C(C)OP(=O)(OCc1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene?
The InChIKey is MOGBPKOUUYFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c1-14(2)19-20(17,16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-12H,1,13H2,2H3.
What are the key properties of [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene?
[phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene has a molecular weight of 288.28 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 71387849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).