[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene

C17H19O3P — CID 72790570

IUPAC[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene
SMILESCC=CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19O3P/c1-2-13-21(18,19-14-16-9-5-3-6-10-16)20-15-17-11-7-4-8-12-17/h2-13H,14-15H2,1H3
InChIKeySKMFDPMBAWZKPV-UHFFFAOYSA-N
MW302.31 g/mol
LogP5.15
Rot. Bonds7

About [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene

[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene (PubChem CID 72790570) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene
PubChem CID72790570
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene
SMILESCC=CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19O3P/c1-2-13-21(18,19-14-16-9-5-3-6-10-16)20-15-17-11-7-4-8-12-17/h2-13H,14-15H2,1H3
InChIKeySKMFDPMBAWZKPV-UHFFFAOYSA-N
XLogP5.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.31
LogP ≤ 55.15
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

[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 71417020
(E)-1-bis(phenylmethoxy)phosphorylbut-2-en-1-one
CID 11566124
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
dibenzyl hydrogen phosphate;silver
CID 85301331
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
dibenzyl chloromethyl phosphate;ethane
CID 144742868
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
benzyl bis(ethenyl) phosphate
CID 141056267
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158

Frequently Asked Questions

What is the IUPAC name of [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene?
The IUPAC name of [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene (CID 72790570) is [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene?
The canonical SMILES for [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene is CC=CP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene?
The InChIKey is SKMFDPMBAWZKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c1-2-13-21(18,19-14-16-9-5-3-6-10-16)20-15-17-11-7-4-8-12-17/h2-13H,14-15H2,1H3.
What are the key properties of [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene?
[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene has a molecular weight of 302.31 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 72790570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).