[hydroxy(naphthalen-1-yloxy)phosphoryl] formate

C11H9O5P — CID 67570808

IUPAC[hydroxy(naphthalen-1-yloxy)phosphoryl] formate
SMILESO=COP(=O)(O)Oc1cccc2ccccc12
InChIInChI=1S/C11H9O5P/c12-8-15-17(13,14)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,13,14)
InChIKeyBVLMBEQRBXAXKW-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.49
Rot. Bonds4

About [hydroxy(naphthalen-1-yloxy)phosphoryl] formate

[hydroxy(naphthalen-1-yloxy)phosphoryl] formate (PubChem CID 67570808) has the molecular formula C11H9O5P and a molecular weight of 252.16 g/mol. Its IUPAC name is [hydroxy(naphthalen-1-yloxy)phosphoryl] formate.

Molecular Properties

Compound Name[hydroxy(naphthalen-1-yloxy)phosphoryl] formate
PubChem CID67570808
Molecular FormulaC11H9O5P
Molecular Weight252.16 g/mol
Exact Mass252.02
IUPAC Name[hydroxy(naphthalen-1-yloxy)phosphoryl] formate
SMILESO=COP(=O)(O)Oc1cccc2ccccc12
InChIInChI=1S/C11H9O5P/c12-8-15-17(13,14)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,13,14)
InChIKeyBVLMBEQRBXAXKW-UHFFFAOYSA-N
XLogP2.49
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [hydroxy(naphthalen-1-yloxy)phosphoryl] formate?
The IUPAC name of [hydroxy(naphthalen-1-yloxy)phosphoryl] formate (CID 67570808) is [hydroxy(naphthalen-1-yloxy)phosphoryl] formate.
What is the SMILES notation for [hydroxy(naphthalen-1-yloxy)phosphoryl] formate?
The canonical SMILES for [hydroxy(naphthalen-1-yloxy)phosphoryl] formate is O=COP(=O)(O)Oc1cccc2ccccc12.
What is the InChIKey of [hydroxy(naphthalen-1-yloxy)phosphoryl] formate?
The InChIKey is BVLMBEQRBXAXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O5P/c12-8-15-17(13,14)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,13,14).
What are the key properties of [hydroxy(naphthalen-1-yloxy)phosphoryl] formate?
[hydroxy(naphthalen-1-yloxy)phosphoryl] formate has a molecular weight of 252.16 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(naphthalen-1-yloxy)phosphoryl] formate is sourced from PubChem (CID 67570808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).