phenoxy phenyl hydrogen phosphate

C12H11O5P — CID 172853202

IUPACphenoxy phenyl hydrogen phosphate
SMILESO=P(O)(OOc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O5P/c13-18(14,16-12-9-5-2-6-10-12)17-15-11-7-3-1-4-8-11/h1-10H,(H,13,14)
InChIKeyYIQUXKHERNLFJP-UHFFFAOYSA-N
MW266.19 g/mol
LogP3.18
Rot. Bonds5

About phenoxy phenyl hydrogen phosphate

phenoxy phenyl hydrogen phosphate (PubChem CID 172853202) has the molecular formula C12H11O5P and a molecular weight of 266.19 g/mol. Its IUPAC name is phenoxy phenyl hydrogen phosphate.

Molecular Properties

Compound Namephenoxy phenyl hydrogen phosphate
PubChem CID172853202
Molecular FormulaC12H11O5P
Molecular Weight266.19 g/mol
Exact Mass266.03
IUPAC Namephenoxy phenyl hydrogen phosphate
SMILESO=P(O)(OOc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O5P/c13-18(14,16-12-9-5-2-6-10-12)17-15-11-7-3-1-4-8-11/h1-10H,(H,13,14)
InChIKeyYIQUXKHERNLFJP-UHFFFAOYSA-N
XLogP3.18
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

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
methane;phenyl phosphono hydrogen phosphate
CID 88820079
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
CID 131875092
CID 131875092
triphenyl phosphate;hydrate
CID 66881958
[hydroxy(phenoxy)phosphoryl] acetate
CID 10198286
nitro phenyl hydrogen phosphate;dihydrochloride
CID 67892340

Frequently Asked Questions

What is the IUPAC name of phenoxy phenyl hydrogen phosphate?
The IUPAC name of phenoxy phenyl hydrogen phosphate (CID 172853202) is phenoxy phenyl hydrogen phosphate.
What is the SMILES notation for phenoxy phenyl hydrogen phosphate?
The canonical SMILES for phenoxy phenyl hydrogen phosphate is O=P(O)(OOc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenoxy phenyl hydrogen phosphate?
The InChIKey is YIQUXKHERNLFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O5P/c13-18(14,16-12-9-5-2-6-10-12)17-15-11-7-3-1-4-8-11/h1-10H,(H,13,14).
What are the key properties of phenoxy phenyl hydrogen phosphate?
phenoxy phenyl hydrogen phosphate has a molecular weight of 266.19 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy phenyl hydrogen phosphate is sourced from PubChem (CID 172853202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).