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

C11H9O6P — CID 87632049

IUPAC[hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate
SMILESO=COP(=O)(OO)Oc1cccc2ccccc12
InChIInChI=1S/C11H9O6P/c12-8-15-18(14,17-13)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13H
InChIKeyLWZABFOIOFZHCV-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.99
Rot. Bonds5

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

[hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate (PubChem CID 87632049) has the molecular formula C11H9O6P and a molecular weight of 268.16 g/mol. Its IUPAC name is [hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate.

Molecular Properties

Compound Name[hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate
PubChem CID87632049
Molecular FormulaC11H9O6P
Molecular Weight268.16 g/mol
Exact Mass268.01
IUPAC Name[hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate
SMILESO=COP(=O)(OO)Oc1cccc2ccccc12
InChIInChI=1S/C11H9O6P/c12-8-15-18(14,17-13)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13H
InChIKeyLWZABFOIOFZHCV-UHFFFAOYSA-N
XLogP2.99
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[hydroxy(naphthalen-1-yloxy)phosphoryl] formate
CID 67570808
sodium naphthalen-1-yl phosphate
CID 22991747
silver naphthalen-1-yl phosphate
CID 23471186
dicesium;naphthalen-1-yl phosphate
CID 139842203
1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
CID 23002016
phenyl dinaphthalen-1-yloxyphosphorylformate
CID 87699801
dinaphthalen-1-yl (4-propylphenyl) phosphate
CID 139980306
(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
CID 139980288
(4-ethylphenyl) naphthalen-1-yl naphthalen-2-yl phosphate
CID 139980305
(4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate
CID 139980272
(7-hydroxynaphthalen-1-yl) dihydrogen phosphate
CID 153322561
1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene
CID 87221296

Frequently Asked Questions

What is the IUPAC name of [hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate?
The IUPAC name of [hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate (CID 87632049) is [hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate.
What is the SMILES notation for [hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate?
The canonical SMILES for [hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate is O=COP(=O)(OO)Oc1cccc2ccccc12.
What is the InChIKey of [hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate?
The InChIKey is LWZABFOIOFZHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O6P/c12-8-15-18(14,17-13)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13H.
What are the key properties of [hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate?
[hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate has a molecular weight of 268.16 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate is sourced from PubChem (CID 87632049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).