(2-methylphenyl)methylphosphonic acid

C8H11O3P — CID 568918

IUPAC(2-methylphenyl)methylphosphonic acid
SMILESCc1ccccc1CP(=O)(O)O
InChIInChI=1S/C8H11O3P/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKeyLGLVXZBJGHANDM-UHFFFAOYSA-N
MW186.15 g/mol
LogP1.67
Rot. Bonds2

About (2-methylphenyl)methylphosphonic acid

(2-methylphenyl)methylphosphonic acid (PubChem CID 568918) has the molecular formula C8H11O3P and a molecular weight of 186.15 g/mol. Its IUPAC name is (2-methylphenyl)methylphosphonic acid.

Molecular Properties

Compound Name(2-methylphenyl)methylphosphonic acid
PubChem CID568918
Molecular FormulaC8H11O3P
Molecular Weight186.15 g/mol
Exact Mass186.04
IUPAC Name(2-methylphenyl)methylphosphonic acid
SMILESCc1ccccc1CP(=O)(O)O
InChIInChI=1S/C8H11O3P/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKeyLGLVXZBJGHANDM-UHFFFAOYSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-methylphenyl)methylphosphonic acid?
The IUPAC name of (2-methylphenyl)methylphosphonic acid (CID 568918) is (2-methylphenyl)methylphosphonic acid.
What is the SMILES notation for (2-methylphenyl)methylphosphonic acid?
The canonical SMILES for (2-methylphenyl)methylphosphonic acid is Cc1ccccc1CP(=O)(O)O.
What is the InChIKey of (2-methylphenyl)methylphosphonic acid?
The InChIKey is LGLVXZBJGHANDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3P/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11).
What are the key properties of (2-methylphenyl)methylphosphonic acid?
(2-methylphenyl)methylphosphonic acid has a molecular weight of 186.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methylphosphonic acid is sourced from PubChem (CID 568918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).