butyl(phenyl)phosphinate

C10H14O2P- — CID 51386598

IUPACbutyl(phenyl)phosphinate
SMILESCCCCP(=O)([O-])c1ccccc1
InChIInChI=1S/C10H15O2P/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,11,12)/p-1
InChIKeyOBQIMLAGVUXZMH-UHFFFAOYSA-M
MW197.19 g/mol
LogP1.75
Rot. Bonds4

About butyl(phenyl)phosphinate

butyl(phenyl)phosphinate (PubChem CID 51386598) has the molecular formula C10H14O2P- and a molecular weight of 197.19 g/mol. Its IUPAC name is butyl(phenyl)phosphinate.

Molecular Properties

Compound Namebutyl(phenyl)phosphinate
PubChem CID51386598
Molecular FormulaC10H14O2P-
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namebutyl(phenyl)phosphinate
SMILESCCCCP(=O)([O-])c1ccccc1
InChIInChI=1S/C10H15O2P/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,11,12)/p-1
InChIKeyOBQIMLAGVUXZMH-UHFFFAOYSA-M
XLogP1.75
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
2-hydroxyhexan-2-yl(phenyl)phosphinate
CID 18991839
dioxido-oxo-phenyl-λ5-phosphane;bis(tetrabutylazanium)
CID 66628068
3-[oxido(phenyl)phosphoryl]propanoate
CID 86314491
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
1-dibutylphosphorylbutane;toluene
CID 175144849
1,3-bis(dibutylphosphoryl)benzene
CID 23418369
[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone
CID 58825409
diphenylphosphinate;trihexyl(methyl)phosphanium
CID 18979396
potassium (3-methoxy-3-oxopropyl)-phenylphosphinate
CID 175322070
1,2-bis(dibutylphosphoryl)benzene
CID 138549467
[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119

Frequently Asked Questions

What is the IUPAC name of butyl(phenyl)phosphinate?
The IUPAC name of butyl(phenyl)phosphinate (CID 51386598) is butyl(phenyl)phosphinate.
What is the SMILES notation for butyl(phenyl)phosphinate?
The canonical SMILES for butyl(phenyl)phosphinate is CCCCP(=O)([O-])c1ccccc1.
What is the InChIKey of butyl(phenyl)phosphinate?
The InChIKey is OBQIMLAGVUXZMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15O2P/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,11,12)/p-1.
What are the key properties of butyl(phenyl)phosphinate?
butyl(phenyl)phosphinate has a molecular weight of 197.19 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(phenyl)phosphinate is sourced from PubChem (CID 51386598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).