1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene

C16H18ClO3P — CID 173306298

IUPAC1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene
SMILESCCOP(=O)(Cc1ccccc1)OCc1ccccc1Cl
InChIInChI=1S/C16H18ClO3P/c1-2-19-21(18,13-14-8-4-3-5-9-14)20-12-15-10-6-7-11-16(15)17/h3-11H,2,12-13H2,1H3
InChIKeyQRNUCQPEKXSCMS-UHFFFAOYSA-N
MW324.74 g/mol
LogP5.29
Rot. Bonds7

About 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene

1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene (PubChem CID 173306298) has the molecular formula C16H18ClO3P and a molecular weight of 324.74 g/mol. Its IUPAC name is 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene
PubChem CID173306298
Molecular FormulaC16H18ClO3P
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene
SMILESCCOP(=O)(Cc1ccccc1)OCc1ccccc1Cl
InChIInChI=1S/C16H18ClO3P/c1-2-19-21(18,13-14-8-4-3-5-9-14)20-12-15-10-6-7-11-16(15)17/h3-11H,2,12-13H2,1H3
InChIKeyQRNUCQPEKXSCMS-UHFFFAOYSA-N
XLogP5.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.74
LogP ≤ 55.29
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

[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157
1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189
[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
2-diethoxyphosphorylethylbenzene
CID 3448525
benzyl 3-(diethoxyphosphorylmethyl)benzoate
CID 10926532
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
1-(diethoxyphosphorylmethyl)-4-[tris[4-(diethoxyphosphorylmethyl)phenyl]methyl]benzene
CID 10920093
1-[chloro(diethoxyphosphoryl)methyl]-3-(diethoxyphosphorylmethyl)benzene
CID 10740436
1-(diethoxyphosphorylmethyl)-2-isocyanobenzene
CID 11436695
1-diethoxyphosphoryl-N-phenylmethoxymethanamine
CID 11832560
2-[benzyl(ethoxy)phosphoryl]oxy-1-butan-2-yl-3-propylbenzene
CID 137470268

Frequently Asked Questions

What is the IUPAC name of 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene?
The IUPAC name of 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene (CID 173306298) is 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene.
What is the SMILES notation for 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene?
The canonical SMILES for 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene is CCOP(=O)(Cc1ccccc1)OCc1ccccc1Cl.
What is the InChIKey of 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene?
The InChIKey is QRNUCQPEKXSCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClO3P/c1-2-19-21(18,13-14-8-4-3-5-9-14)20-12-15-10-6-7-11-16(15)17/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene?
1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene has a molecular weight of 324.74 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene is sourced from PubChem (CID 173306298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).