oxiran-2-ylmethyl phenyl hydrogen phosphate

C9H11O5P — CID 87668878

IUPACoxiran-2-ylmethyl phenyl hydrogen phosphate
SMILESO=P(O)(OCC1CO1)Oc1ccccc1
InChIInChI=1S/C9H11O5P/c10-15(11,13-7-9-6-12-9)14-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11)
InChIKeySTKPFHRAGAQGLO-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.58
Rot. Bonds5

About oxiran-2-ylmethyl phenyl hydrogen phosphate

oxiran-2-ylmethyl phenyl hydrogen phosphate (PubChem CID 87668878) has the molecular formula C9H11O5P and a molecular weight of 230.16 g/mol. Its IUPAC name is oxiran-2-ylmethyl phenyl hydrogen phosphate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl phenyl hydrogen phosphate
PubChem CID87668878
Molecular FormulaC9H11O5P
Molecular Weight230.16 g/mol
Exact Mass230.03
IUPAC Nameoxiran-2-ylmethyl phenyl hydrogen phosphate
SMILESO=P(O)(OCC1CO1)Oc1ccccc1
InChIInChI=1S/C9H11O5P/c10-15(11,13-7-9-6-12-9)14-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11)
InChIKeySTKPFHRAGAQGLO-UHFFFAOYSA-N
XLogP1.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phenyl phosphate
CID 12793
Dibutyl phenyl phosphate
CID 17312
Phosphoric acid, diphenyl ester
CID 13282
Methyl diphenyl phosphate
CID 8291
Diethyl 3-hydroxyphenylphosphonate
CID 2773717
Phenyl propan-2-yl hydrogen phosphate
CID 93246
p-Diethoxyphosphorylphenol
CID 2773718
Diethyl phenyl phosphate
CID 17280
Phosphoric acid, dimethyl phenyl ester
CID 82355
Methyl phenyl hydrogen phosphate
CID 301276
Phosphinecarboxylic acid, hydroxyphenoxy-, ethyl ester, oxide, sodium salt
CID 23679408
Phosphoric acid, monobutyl monophenyl ester
CID 15591288

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl phenyl hydrogen phosphate?
The IUPAC name of oxiran-2-ylmethyl phenyl hydrogen phosphate (CID 87668878) is oxiran-2-ylmethyl phenyl hydrogen phosphate.
What is the SMILES notation for oxiran-2-ylmethyl phenyl hydrogen phosphate?
The canonical SMILES for oxiran-2-ylmethyl phenyl hydrogen phosphate is O=P(O)(OCC1CO1)Oc1ccccc1.
What is the InChIKey of oxiran-2-ylmethyl phenyl hydrogen phosphate?
The InChIKey is STKPFHRAGAQGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O5P/c10-15(11,13-7-9-6-12-9)14-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11).
What are the key properties of oxiran-2-ylmethyl phenyl hydrogen phosphate?
oxiran-2-ylmethyl phenyl hydrogen phosphate has a molecular weight of 230.16 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl phenyl hydrogen phosphate is sourced from PubChem (CID 87668878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).