[hydroxy(phenoxy)phosphoryl] acetate

C8H9O5P — CID 10198286

IUPAC[hydroxy(phenoxy)phosphoryl] acetate
SMILESCC(=O)OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C8H9O5P/c1-7(9)12-14(10,11)13-8-5-3-2-4-6-8/h2-6H,1H3,(H,10,11)
InChIKeyYXJAQKPRTPHZQC-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.73
Rot. Bonds3

About [hydroxy(phenoxy)phosphoryl] acetate

[hydroxy(phenoxy)phosphoryl] acetate (PubChem CID 10198286) has the molecular formula C8H9O5P and a molecular weight of 216.13 g/mol. Its IUPAC name is [hydroxy(phenoxy)phosphoryl] acetate.

Molecular Properties

Compound Name[hydroxy(phenoxy)phosphoryl] acetate
PubChem CID10198286
Molecular FormulaC8H9O5P
Molecular Weight216.13 g/mol
Exact Mass216.02
IUPAC Name[hydroxy(phenoxy)phosphoryl] acetate
SMILESCC(=O)OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C8H9O5P/c1-7(9)12-14(10,11)13-8-5-3-2-4-6-8/h2-6H,1H3,(H,10,11)
InChIKeyYXJAQKPRTPHZQC-UHFFFAOYSA-N
XLogP1.73
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
hydroxy phenyl hydrogen phosphate
CID 19103302
chloroform;diphenyl hydrogen phosphate
CID 174899919
[hydroxy(phenoxy)phosphoryl] octadecanoate
CID 174873653
methane;phenyl phosphono hydrogen phosphate
CID 88820079
phenoxy phenyl hydrogen phosphate
CID 172853202
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
dimethyl hydrogen phosphite;diphenyl hydrogen phosphate
CID 161171837
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
diiminoazanium;diphenyl hydrogen phosphate;toluene
CID 174944323

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenoxy)phosphoryl] acetate?
The IUPAC name of [hydroxy(phenoxy)phosphoryl] acetate (CID 10198286) is [hydroxy(phenoxy)phosphoryl] acetate.
What is the SMILES notation for [hydroxy(phenoxy)phosphoryl] acetate?
The canonical SMILES for [hydroxy(phenoxy)phosphoryl] acetate is CC(=O)OP(=O)(O)Oc1ccccc1.
What is the InChIKey of [hydroxy(phenoxy)phosphoryl] acetate?
The InChIKey is YXJAQKPRTPHZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O5P/c1-7(9)12-14(10,11)13-8-5-3-2-4-6-8/h2-6H,1H3,(H,10,11).
What are the key properties of [hydroxy(phenoxy)phosphoryl] acetate?
[hydroxy(phenoxy)phosphoryl] acetate has a molecular weight of 216.13 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenoxy)phosphoryl] acetate is sourced from PubChem (CID 10198286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).