prop-1-en-2-ylphosphonic acid;styrene

C11H15O3P — CID 160761452

IUPACprop-1-en-2-ylphosphonic acid;styrene
SMILESC=C(C)P(=O)(O)O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C3H7O3P/c1-2-8-6-4-3-5-7-8;1-3(2)7(4,5)6/h2-7H,1H2;1H2,2H3,(H2,4,5,6)
InChIKeyRYCWIOXIGZKNTA-UHFFFAOYSA-N
MW226.21 g/mol
LogP3.03
Rot. Bonds2

About prop-1-en-2-ylphosphonic acid;styrene

prop-1-en-2-ylphosphonic acid;styrene (PubChem CID 160761452) has the molecular formula C11H15O3P and a molecular weight of 226.21 g/mol. Its IUPAC name is prop-1-en-2-ylphosphonic acid;styrene.

Molecular Properties

Compound Nameprop-1-en-2-ylphosphonic acid;styrene
PubChem CID160761452
Molecular FormulaC11H15O3P
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Nameprop-1-en-2-ylphosphonic acid;styrene
SMILESC=C(C)P(=O)(O)O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C3H7O3P/c1-2-8-6-4-3-5-7-8;1-3(2)7(4,5)6/h2-7H,1H2;1H2,2H3,(H2,4,5,6)
InChIKeyRYCWIOXIGZKNTA-UHFFFAOYSA-N
XLogP3.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 53.03
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

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-ylphosphonic acid;styrene?
The IUPAC name of prop-1-en-2-ylphosphonic acid;styrene (CID 160761452) is prop-1-en-2-ylphosphonic acid;styrene.
What is the SMILES notation for prop-1-en-2-ylphosphonic acid;styrene?
The canonical SMILES for prop-1-en-2-ylphosphonic acid;styrene is C=C(C)P(=O)(O)O.C=Cc1ccccc1.
What is the InChIKey of prop-1-en-2-ylphosphonic acid;styrene?
The InChIKey is RYCWIOXIGZKNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C3H7O3P/c1-2-8-6-4-3-5-7-8;1-3(2)7(4,5)6/h2-7H,1H2;1H2,2H3,(H2,4,5,6).
What are the key properties of prop-1-en-2-ylphosphonic acid;styrene?
prop-1-en-2-ylphosphonic acid;styrene has a molecular weight of 226.21 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-ylphosphonic acid;styrene is sourced from PubChem (CID 160761452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).