(3-fluoro-2-methylphenyl) dihydrogen phosphate

C7H8FO4P — CID 122607374

IUPAC(3-fluoro-2-methylphenyl) dihydrogen phosphate
SMILESCc1c(F)cccc1OP(=O)(O)O
InChIInChI=1S/C7H8FO4P/c1-5-6(8)3-2-4-7(5)12-13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyVSXYZRINFFKETD-UHFFFAOYSA-N
MW206.11 g/mol
LogP1.61
Rot. Bonds2

About (3-fluoro-2-methylphenyl) dihydrogen phosphate

(3-fluoro-2-methylphenyl) dihydrogen phosphate (PubChem CID 122607374) has the molecular formula C7H8FO4P and a molecular weight of 206.11 g/mol. Its IUPAC name is (3-fluoro-2-methylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(3-fluoro-2-methylphenyl) dihydrogen phosphate
PubChem CID122607374
Molecular FormulaC7H8FO4P
Molecular Weight206.11 g/mol
Exact Mass206.01
IUPAC Name(3-fluoro-2-methylphenyl) dihydrogen phosphate
SMILESCc1c(F)cccc1OP(=O)(O)O
InChIInChI=1S/C7H8FO4P/c1-5-6(8)3-2-4-7(5)12-13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyVSXYZRINFFKETD-UHFFFAOYSA-N
XLogP1.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluoro-2-methylphenyl) dihydrogen phosphate?
The IUPAC name of (3-fluoro-2-methylphenyl) dihydrogen phosphate (CID 122607374) is (3-fluoro-2-methylphenyl) dihydrogen phosphate.
What is the SMILES notation for (3-fluoro-2-methylphenyl) dihydrogen phosphate?
The canonical SMILES for (3-fluoro-2-methylphenyl) dihydrogen phosphate is Cc1c(F)cccc1OP(=O)(O)O.
What is the InChIKey of (3-fluoro-2-methylphenyl) dihydrogen phosphate?
The InChIKey is VSXYZRINFFKETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FO4P/c1-5-6(8)3-2-4-7(5)12-13(9,10)11/h2-4H,1H3,(H2,9,10,11).
What are the key properties of (3-fluoro-2-methylphenyl) dihydrogen phosphate?
(3-fluoro-2-methylphenyl) dihydrogen phosphate has a molecular weight of 206.11 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methylphenyl) dihydrogen phosphate is sourced from PubChem (CID 122607374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).