[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid

C9H10NO5P — CID 3079452

IUPAC[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
SMILESO=P(O)(O)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C9H10NO5P/c11-8-4-2-1-3-6(8)7-5-9(15-10-7)16(12,13)14/h1-4,9,11H,5H2,(H2,12,13,14)
InChIKeyVSMWPMDMCUQNBK-UHFFFAOYSA-N
MW243.16 g/mol
LogP1.02
Rot. Bonds2

About [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid

[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid (PubChem CID 3079452) has the molecular formula C9H10NO5P and a molecular weight of 243.16 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
PubChem CID3079452
Molecular FormulaC9H10NO5P
Molecular Weight243.16 g/mol
Exact Mass243.03
IUPAC Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
SMILESO=P(O)(O)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C9H10NO5P/c11-8-4-2-1-3-6(8)7-5-9(15-10-7)16(12,13)14/h1-4,9,11H,5H2,(H2,12,13,14)
InChIKeyVSMWPMDMCUQNBK-UHFFFAOYSA-N
XLogP1.02
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid?
The IUPAC name of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid (CID 3079452) is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid.
What is the SMILES notation for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid?
The canonical SMILES for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid is O=P(O)(O)C1CC(c2ccccc2O)=NO1.
What is the InChIKey of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid?
The InChIKey is VSMWPMDMCUQNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO5P/c11-8-4-2-1-3-6(8)7-5-9(15-10-7)16(12,13)14/h1-4,9,11H,5H2,(H2,12,13,14).
What are the key properties of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid?
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid has a molecular weight of 243.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid is sourced from PubChem (CID 3079452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).