4-(phosphorosooxymethyl)benzaldehyde

C8H7O3P — CID 153444491

IUPAC4-(phosphorosooxymethyl)benzaldehyde
SMILESO=Cc1ccc(COP=O)cc1
InChIInChI=1S/C8H7O3P/c9-5-7-1-3-8(4-2-7)6-11-12-10/h1-5H,6H2
InChIKeyHVNGAODULYKCQO-UHFFFAOYSA-N
MW182.11 g/mol
LogP2.22
Rot. Bonds4

About 4-(phosphorosooxymethyl)benzaldehyde

4-(phosphorosooxymethyl)benzaldehyde (PubChem CID 153444491) has the molecular formula C8H7O3P and a molecular weight of 182.11 g/mol. Its IUPAC name is 4-(phosphorosooxymethyl)benzaldehyde.

Molecular Properties

Compound Name4-(phosphorosooxymethyl)benzaldehyde
PubChem CID153444491
Molecular FormulaC8H7O3P
Molecular Weight182.11 g/mol
Exact Mass182.01
IUPAC Name4-(phosphorosooxymethyl)benzaldehyde
SMILESO=Cc1ccc(COP=O)cc1
InChIInChI=1S/C8H7O3P/c9-5-7-1-3-8(4-2-7)6-11-12-10/h1-5H,6H2
InChIKeyHVNGAODULYKCQO-UHFFFAOYSA-N
XLogP2.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(phosphorosooxymethyl)benzaldehyde?
The IUPAC name of 4-(phosphorosooxymethyl)benzaldehyde (CID 153444491) is 4-(phosphorosooxymethyl)benzaldehyde.
What is the SMILES notation for 4-(phosphorosooxymethyl)benzaldehyde?
The canonical SMILES for 4-(phosphorosooxymethyl)benzaldehyde is O=Cc1ccc(COP=O)cc1.
What is the InChIKey of 4-(phosphorosooxymethyl)benzaldehyde?
The InChIKey is HVNGAODULYKCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O3P/c9-5-7-1-3-8(4-2-7)6-11-12-10/h1-5H,6H2.
What are the key properties of 4-(phosphorosooxymethyl)benzaldehyde?
4-(phosphorosooxymethyl)benzaldehyde has a molecular weight of 182.11 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phosphorosooxymethyl)benzaldehyde is sourced from PubChem (CID 153444491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).