(1-methylimidazol-2-yl)-phenylphosphinic acid

C10H11N2O2P — CID 4206734

IUPAC(1-methylimidazol-2-yl)-phenylphosphinic acid
SMILESCn1ccnc1P(=O)(O)c1ccccc1
InChIInChI=1S/C10H11N2O2P/c1-12-8-7-11-10(12)15(13,14)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)
InChIKeyVRKOCFXMHSNUSV-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.64
Rot. Bonds2

About (1-methylimidazol-2-yl)-phenylphosphinic acid

(1-methylimidazol-2-yl)-phenylphosphinic acid (PubChem CID 4206734) has the molecular formula C10H11N2O2P and a molecular weight of 222.18 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-phenylphosphinic acid.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-phenylphosphinic acid
PubChem CID4206734
Molecular FormulaC10H11N2O2P
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name(1-methylimidazol-2-yl)-phenylphosphinic acid
SMILESCn1ccnc1P(=O)(O)c1ccccc1
InChIInChI=1S/C10H11N2O2P/c1-12-8-7-11-10(12)15(13,14)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)
InChIKeyVRKOCFXMHSNUSV-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-phenylphosphinic acid?
The IUPAC name of (1-methylimidazol-2-yl)-phenylphosphinic acid (CID 4206734) is (1-methylimidazol-2-yl)-phenylphosphinic acid.
What is the SMILES notation for (1-methylimidazol-2-yl)-phenylphosphinic acid?
The canonical SMILES for (1-methylimidazol-2-yl)-phenylphosphinic acid is Cn1ccnc1P(=O)(O)c1ccccc1.
What is the InChIKey of (1-methylimidazol-2-yl)-phenylphosphinic acid?
The InChIKey is VRKOCFXMHSNUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O2P/c1-12-8-7-11-10(12)15(13,14)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14).
What are the key properties of (1-methylimidazol-2-yl)-phenylphosphinic acid?
(1-methylimidazol-2-yl)-phenylphosphinic acid has a molecular weight of 222.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-phenylphosphinic acid is sourced from PubChem (CID 4206734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).