(3-methyl-5-phosphanyloxyphenyl)boronic acid

C7H10BO3P — CID 89339719

IUPAC(3-methyl-5-phosphanyloxyphenyl)boronic acid
SMILESCc1cc(OP)cc(B(O)O)c1
InChIInChI=1S/C7H10BO3P/c1-5-2-6(8(9)10)4-7(3-5)11-12/h2-4,9-10H,12H2,1H3
InChIKeyHOKHUVUVBBSHSV-UHFFFAOYSA-N
MW183.94 g/mol
LogP-0.16
Rot. Bonds2

About (3-methyl-5-phosphanyloxyphenyl)boronic acid

(3-methyl-5-phosphanyloxyphenyl)boronic acid (PubChem CID 89339719) has the molecular formula C7H10BO3P and a molecular weight of 183.94 g/mol. Its IUPAC name is (3-methyl-5-phosphanyloxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-methyl-5-phosphanyloxyphenyl)boronic acid
PubChem CID89339719
Molecular FormulaC7H10BO3P
Molecular Weight183.94 g/mol
Exact Mass184.05
IUPAC Name(3-methyl-5-phosphanyloxyphenyl)boronic acid
SMILESCc1cc(OP)cc(B(O)O)c1
InChIInChI=1S/C7H10BO3P/c1-5-2-6(8(9)10)4-7(3-5)11-12/h2-4,9-10H,12H2,1H3
InChIKeyHOKHUVUVBBSHSV-UHFFFAOYSA-N
XLogP-0.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.94
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-phosphanyloxyphenyl)boronic acid?
The IUPAC name of (3-methyl-5-phosphanyloxyphenyl)boronic acid (CID 89339719) is (3-methyl-5-phosphanyloxyphenyl)boronic acid.
What is the SMILES notation for (3-methyl-5-phosphanyloxyphenyl)boronic acid?
The canonical SMILES for (3-methyl-5-phosphanyloxyphenyl)boronic acid is Cc1cc(OP)cc(B(O)O)c1.
What is the InChIKey of (3-methyl-5-phosphanyloxyphenyl)boronic acid?
The InChIKey is HOKHUVUVBBSHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BO3P/c1-5-2-6(8(9)10)4-7(3-5)11-12/h2-4,9-10H,12H2,1H3.
What are the key properties of (3-methyl-5-phosphanyloxyphenyl)boronic acid?
(3-methyl-5-phosphanyloxyphenyl)boronic acid has a molecular weight of 183.94 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-phosphanyloxyphenyl)boronic acid is sourced from PubChem (CID 89339719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).