phenylphosphonic acid;phosphane

C6H10O3P2 — CID 157219344

IUPACphenylphosphonic acid;phosphane
SMILESO=P(O)(O)c1ccccc1.P
InChIInChI=1S/C6H7O3P.H3P/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);1H3
InChIKeyASUJUHXQBNNROZ-UHFFFAOYSA-N
MW192.09 g/mol
LogP0.55
Rot. Bonds1

About phenylphosphonic acid;phosphane

phenylphosphonic acid;phosphane (PubChem CID 157219344) has the molecular formula C6H10O3P2 and a molecular weight of 192.09 g/mol. Its IUPAC name is phenylphosphonic acid;phosphane.

Molecular Properties

Compound Namephenylphosphonic acid;phosphane
PubChem CID157219344
Molecular FormulaC6H10O3P2
Molecular Weight192.09 g/mol
Exact Mass192.01
IUPAC Namephenylphosphonic acid;phosphane
SMILESO=P(O)(O)c1ccccc1.P
InChIInChI=1S/C6H7O3P.H3P/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);1H3
InChIKeyASUJUHXQBNNROZ-UHFFFAOYSA-N
XLogP0.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 50.55
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

CID 66766975
CID 66766975
phenylphosphonic acid;terbium
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CID 172995244
benzene;neodymium;phenylphosphonic acid
CID 159714726
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonamidic acid
CID 18388605
methyl(phenyl)phosphinic acid;zinc
CID 66618039
[4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid
CID 130317683
magnesium;hydride;methyl(phenyl)phosphinic acid
CID 173000792
diphenylphosphorylbenzene;terbium
CID 86595283
(triphenyl-λ5-phosphanylidene)methylphosphonic acid
CID 21266815

Frequently Asked Questions

What is the IUPAC name of phenylphosphonic acid;phosphane?
The IUPAC name of phenylphosphonic acid;phosphane (CID 157219344) is phenylphosphonic acid;phosphane.
What is the SMILES notation for phenylphosphonic acid;phosphane?
The canonical SMILES for phenylphosphonic acid;phosphane is O=P(O)(O)c1ccccc1.P.
What is the InChIKey of phenylphosphonic acid;phosphane?
The InChIKey is ASUJUHXQBNNROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O3P.H3P/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);1H3.
What are the key properties of phenylphosphonic acid;phosphane?
phenylphosphonic acid;phosphane has a molecular weight of 192.09 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphonic acid;phosphane is sourced from PubChem (CID 157219344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).