benzyl dimethoxyphosphorylformate

C10H13O5P — CID 512106

IUPACbenzyl dimethoxyphosphorylformate
SMILESCOP(=O)(OC)C(=O)OCc1ccccc1
InChIInChI=1S/C10H13O5P/c1-13-16(12,14-2)10(11)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyXFKFJOZJWXBAPK-UHFFFAOYSA-N
MW244.18 g/mol
LogP2.81
Rot. Bonds5

About benzyl dimethoxyphosphorylformate

benzyl dimethoxyphosphorylformate (PubChem CID 512106) has the molecular formula C10H13O5P and a molecular weight of 244.18 g/mol. Its IUPAC name is benzyl dimethoxyphosphorylformate.

Molecular Properties

Compound Namebenzyl dimethoxyphosphorylformate
PubChem CID512106
Molecular FormulaC10H13O5P
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Namebenzyl dimethoxyphosphorylformate
SMILESCOP(=O)(OC)C(=O)OCc1ccccc1
InChIInChI=1S/C10H13O5P/c1-13-16(12,14-2)10(11)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyXFKFJOZJWXBAPK-UHFFFAOYSA-N
XLogP2.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl dimethoxyphosphorylformate?
The IUPAC name of benzyl dimethoxyphosphorylformate (CID 512106) is benzyl dimethoxyphosphorylformate.
What is the SMILES notation for benzyl dimethoxyphosphorylformate?
The canonical SMILES for benzyl dimethoxyphosphorylformate is COP(=O)(OC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl dimethoxyphosphorylformate?
The InChIKey is XFKFJOZJWXBAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O5P/c1-13-16(12,14-2)10(11)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of benzyl dimethoxyphosphorylformate?
benzyl dimethoxyphosphorylformate has a molecular weight of 244.18 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl dimethoxyphosphorylformate is sourced from PubChem (CID 512106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).