[2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid

C15H16FO3P — CID 72735911

IUPAC[2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid
SMILESCOP(=O)(O)Cc1cc(C)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H16FO3P/c1-11-3-8-15(12-4-6-14(16)7-5-12)13(9-11)10-20(17,18)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyBQBBCVNTCQDTKK-UHFFFAOYSA-N
MW294.26 g/mol
LogP4.13
Rot. Bonds4

About [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid

[2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid (PubChem CID 72735911) has the molecular formula C15H16FO3P and a molecular weight of 294.26 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid
PubChem CID72735911
Molecular FormulaC15H16FO3P
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name[2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid
SMILESCOP(=O)(O)Cc1cc(C)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H16FO3P/c1-11-3-8-15(12-4-6-14(16)7-5-12)13(9-11)10-20(17,18)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyBQBBCVNTCQDTKK-UHFFFAOYSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
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 [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid?
The IUPAC name of [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid (CID 72735911) is [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid.
What is the SMILES notation for [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid?
The canonical SMILES for [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid is COP(=O)(O)Cc1cc(C)ccc1-c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid?
The InChIKey is BQBBCVNTCQDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FO3P/c1-11-3-8-15(12-4-6-14(16)7-5-12)13(9-11)10-20(17,18)19-2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid?
[2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid has a molecular weight of 294.26 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid is sourced from PubChem (CID 72735911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).