[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene

C15H16ClO3P — CID 57149072

IUPAC[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
SMILESO=P(Cc1ccccc1)(OCCl)OCc1ccccc1
InChIInChI=1S/C15H16ClO3P/c16-13-19-20(17,12-15-9-5-2-6-10-15)18-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyVPTWMUKYBAYVCS-UHFFFAOYSA-N
MW310.72 g/mol
LogP4.81
Rot. Bonds7

About [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene

[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene (PubChem CID 57149072) has the molecular formula C15H16ClO3P and a molecular weight of 310.72 g/mol. Its IUPAC name is [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
PubChem CID57149072
Molecular FormulaC15H16ClO3P
Molecular Weight310.72 g/mol
Exact Mass310.05
IUPAC Name[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
SMILESO=P(Cc1ccccc1)(OCCl)OCc1ccccc1
InChIInChI=1S/C15H16ClO3P/c16-13-19-20(17,12-15-9-5-2-6-10-15)18-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyVPTWMUKYBAYVCS-UHFFFAOYSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl chloromethyl phosphate;ethane
CID 144742868
chloromethyl phenylmethoxy hydrogen phosphate
CID 174910473
1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene
CID 173306298
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 71417020
trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
CID 162188865
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver
CID 158261759
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
CID 155609893
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844

Frequently Asked Questions

What is the IUPAC name of [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene?
The IUPAC name of [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene (CID 57149072) is [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene?
The canonical SMILES for [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene is O=P(Cc1ccccc1)(OCCl)OCc1ccccc1.
What is the InChIKey of [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene?
The InChIKey is VPTWMUKYBAYVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClO3P/c16-13-19-20(17,12-15-9-5-2-6-10-15)18-11-14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene?
[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene has a molecular weight of 310.72 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(chloromethoxy)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 57149072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).