(4-methylphenyl)methylphosphonic acid

C8H11O3P — CID 2773801

IUPAC(4-methylphenyl)methylphosphonic acid
SMILESCc1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C8H11O3P/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKeyHIIOYVOBADMCAS-UHFFFAOYSA-N
MW186.15 g/mol
LogP1.67
Rot. Bonds2

About (4-methylphenyl)methylphosphonic acid

(4-methylphenyl)methylphosphonic acid (PubChem CID 2773801) has the molecular formula C8H11O3P and a molecular weight of 186.15 g/mol. Its IUPAC name is (4-methylphenyl)methylphosphonic acid.

Molecular Properties

Compound Name(4-methylphenyl)methylphosphonic acid
PubChem CID2773801
Molecular FormulaC8H11O3P
Molecular Weight186.15 g/mol
Exact Mass186.04
IUPAC Name(4-methylphenyl)methylphosphonic acid
SMILESCc1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C8H11O3P/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKeyHIIOYVOBADMCAS-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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Related Compounds

[4-(methylamino)phenyl]methylphosphonic acid
CID 70930648
1-(4-methylphenyl)propan-2-ylphosphonic acid
CID 68827855
(4-methylphenyl)methylsulfonylmethylphosphonic acid
CID 141044497
butan-2-yloxy-[(4-methylphenyl)methyl]phosphinic acid
CID 87175597
[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid
CID 150527208
pyridin-4-ylmethylphosphonic acid;hydrate
CID 146680243
[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenyl]methylphosphonic acid
CID 132968810
[4-(propanoylamino)phenyl]methylphosphonic acid
CID 143490862
butane;(4-hydroxy-3-methylphenyl)methylphosphonic acid
CID 174758870
[2-ethyl-4-(phosphonomethyl)phenyl]methylphosphonic acid
CID 88617789
[4-[phenyl-bis[4-(phosphonomethyl)phenyl]methyl]phenyl]methylphosphonic acid
CID 91175176
[2,4-bis(phosphonomethyl)phenyl]methylphosphonic acid
CID 10247916

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methylphosphonic acid?
The IUPAC name of (4-methylphenyl)methylphosphonic acid (CID 2773801) is (4-methylphenyl)methylphosphonic acid.
What is the SMILES notation for (4-methylphenyl)methylphosphonic acid?
The canonical SMILES for (4-methylphenyl)methylphosphonic acid is Cc1ccc(CP(=O)(O)O)cc1.
What is the InChIKey of (4-methylphenyl)methylphosphonic acid?
The InChIKey is HIIOYVOBADMCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3P/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11).
What are the key properties of (4-methylphenyl)methylphosphonic acid?
(4-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 (4-methylphenyl)methylphosphonic acid is sourced from PubChem (CID 2773801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).