1-(2-methylphenyl)ethenylphosphonic acid

C9H11O3P — CID 3021132

IUPAC1-(2-methylphenyl)ethenylphosphonic acid
SMILESC=C(c1ccccc1C)P(=O)(O)O
InChIInChI=1S/C9H11O3P/c1-7-5-3-4-6-9(7)8(2)13(10,11)12/h3-6H,2H2,1H3,(H2,10,11,12)
InChIKeyHWYPDXFWZOOHKL-UHFFFAOYSA-N
MW198.16 g/mol
LogP2.14
Rot. Bonds2

About 1-(2-methylphenyl)ethenylphosphonic acid

1-(2-methylphenyl)ethenylphosphonic acid (PubChem CID 3021132) has the molecular formula C9H11O3P and a molecular weight of 198.16 g/mol. Its IUPAC name is 1-(2-methylphenyl)ethenylphosphonic acid.

Molecular Properties

Compound Name1-(2-methylphenyl)ethenylphosphonic acid
PubChem CID3021132
Molecular FormulaC9H11O3P
Molecular Weight198.16 g/mol
Exact Mass198.04
IUPAC Name1-(2-methylphenyl)ethenylphosphonic acid
SMILESC=C(c1ccccc1C)P(=O)(O)O
InChIInChI=1S/C9H11O3P/c1-7-5-3-4-6-9(7)8(2)13(10,11)12/h3-6H,2H2,1H3,(H2,10,11,12)
InChIKeyHWYPDXFWZOOHKL-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylphenyl)ethenylphosphonic acid 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

1-(1-diphenylphosphorylethenyl)-2-methylbenzene
CID 135086687
bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone
CID 18353869
1-(2-methylphenyl)ethenesulfinate
CID 175121815
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
phosphono 2-methylbenzoate
CID 66728080
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
2-(2-methylphenyl)prop-2-enamide
CID 23202678
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
disodium;(2-methylphenyl)-phosphonatomethanone
CID 66884074
2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone
CID 174630360
bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium
CID 175025881
2-methylidene-1-(2-methylphenyl)but-3-en-1-one
CID 163236678

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)ethenylphosphonic acid?
The IUPAC name of 1-(2-methylphenyl)ethenylphosphonic acid (CID 3021132) is 1-(2-methylphenyl)ethenylphosphonic acid.
What is the SMILES notation for 1-(2-methylphenyl)ethenylphosphonic acid?
The canonical SMILES for 1-(2-methylphenyl)ethenylphosphonic acid is C=C(c1ccccc1C)P(=O)(O)O.
What is the InChIKey of 1-(2-methylphenyl)ethenylphosphonic acid?
The InChIKey is HWYPDXFWZOOHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O3P/c1-7-5-3-4-6-9(7)8(2)13(10,11)12/h3-6H,2H2,1H3,(H2,10,11,12).
What are the key properties of 1-(2-methylphenyl)ethenylphosphonic acid?
1-(2-methylphenyl)ethenylphosphonic acid has a molecular weight of 198.16 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)ethenylphosphonic acid is sourced from PubChem (CID 3021132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).