(2-methylphenyl)phosphonic acid;dihydrochloride

C7H11Cl2O3P — CID 70471914

IUPAC(2-methylphenyl)phosphonic acid;dihydrochloride
SMILESCc1ccccc1P(=O)(O)O.Cl.Cl
InChIInChI=1S/C7H9O3P.2ClH/c1-6-4-2-3-5-7(6)11(8,9)10;;/h2-5H,1H3,(H2,8,9,10);2*1H
InChIKeyJQBZDVKAMCFDFK-UHFFFAOYSA-N
MW245.04 g/mol
LogP1.64
Rot. Bonds1

About (2-methylphenyl)phosphonic acid;dihydrochloride

(2-methylphenyl)phosphonic acid;dihydrochloride (PubChem CID 70471914) has the molecular formula C7H11Cl2O3P and a molecular weight of 245.04 g/mol. Its IUPAC name is (2-methylphenyl)phosphonic acid;dihydrochloride.

Molecular Properties

Compound Name(2-methylphenyl)phosphonic acid;dihydrochloride
PubChem CID70471914
Molecular FormulaC7H11Cl2O3P
Molecular Weight245.04 g/mol
Exact Mass243.98
IUPAC Name(2-methylphenyl)phosphonic acid;dihydrochloride
SMILESCc1ccccc1P(=O)(O)O.Cl.Cl
InChIInChI=1S/C7H9O3P.2ClH/c1-6-4-2-3-5-7(6)11(8,9)10;;/h2-5H,1H3,(H2,8,9,10);2*1H
InChIKeyJQBZDVKAMCFDFK-UHFFFAOYSA-N
XLogP1.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.04
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-methylphenyl)phosphonic acid;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-3-methylphenyl)phosphonic acid
CID 19089383
(2-methylphenyl)-propan-2-yloxyphosphinic acid
CID 139679819
naphthalen-1-ylphosphonic acid;dihydrochloride
CID 175207516
(3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid
CID 87625044
(2-hydroxy-3-phosphonophenyl)phosphonic acid
CID 13318949
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
copper;(2-methoxyphenyl)phosphonic acid
CID 68628754
1-dicyclopropylphosphoryl-2-methylbenzene
CID 167253001
methyl-(2-methylphenoxy)phosphinic acid
CID 13143305
methoxy-[2-(2-methylbenzoyl)phenyl]phosphinic acid
CID 141381447
1,2-xylene;trihydrochloride
CID 70594732
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)phosphonic acid;dihydrochloride?
The IUPAC name of (2-methylphenyl)phosphonic acid;dihydrochloride (CID 70471914) is (2-methylphenyl)phosphonic acid;dihydrochloride.
What is the SMILES notation for (2-methylphenyl)phosphonic acid;dihydrochloride?
The canonical SMILES for (2-methylphenyl)phosphonic acid;dihydrochloride is Cc1ccccc1P(=O)(O)O.Cl.Cl.
What is the InChIKey of (2-methylphenyl)phosphonic acid;dihydrochloride?
The InChIKey is JQBZDVKAMCFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3P.2ClH/c1-6-4-2-3-5-7(6)11(8,9)10;;/h2-5H,1H3,(H2,8,9,10);2*1H.
What are the key properties of (2-methylphenyl)phosphonic acid;dihydrochloride?
(2-methylphenyl)phosphonic acid;dihydrochloride has a molecular weight of 245.04 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)phosphonic acid;dihydrochloride is sourced from PubChem (CID 70471914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).