(2-benzoylphenyl)-ethylphosphinic acid

C15H15O3P — CID 141024977

IUPAC(2-benzoylphenyl)-ethylphosphinic acid
SMILESCCP(=O)(O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C15H15O3P/c1-2-19(17,18)14-11-7-6-10-13(14)15(16)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,17,18)
InChIKeyBJSIWDKHJGJYIT-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.83
Rot. Bonds4

About (2-benzoylphenyl)-ethylphosphinic acid

(2-benzoylphenyl)-ethylphosphinic acid (PubChem CID 141024977) has the molecular formula C15H15O3P and a molecular weight of 274.26 g/mol. Its IUPAC name is (2-benzoylphenyl)-ethylphosphinic acid.

Molecular Properties

Compound Name(2-benzoylphenyl)-ethylphosphinic acid
PubChem CID141024977
Molecular FormulaC15H15O3P
Molecular Weight274.26 g/mol
Exact Mass274.08
IUPAC Name(2-benzoylphenyl)-ethylphosphinic acid
SMILESCCP(=O)(O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C15H15O3P/c1-2-19(17,18)14-11-7-6-10-13(14)15(16)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,17,18)
InChIKeyBJSIWDKHJGJYIT-UHFFFAOYSA-N
XLogP2.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylmethanone;(2-ethylbenzoyl)phosphonic acid
CID 175203276
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
1-(2-benzoylphenyl)hexan-1-one
CID 158745155
phenyl-(2-propoxyphenyl)methanone
CID 15556308
[2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone
CID 142740893
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
diphenylmethanone;ethane
CID 158014879
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537

Frequently Asked Questions

What is the IUPAC name of (2-benzoylphenyl)-ethylphosphinic acid?
The IUPAC name of (2-benzoylphenyl)-ethylphosphinic acid (CID 141024977) is (2-benzoylphenyl)-ethylphosphinic acid.
What is the SMILES notation for (2-benzoylphenyl)-ethylphosphinic acid?
The canonical SMILES for (2-benzoylphenyl)-ethylphosphinic acid is CCP(=O)(O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-benzoylphenyl)-ethylphosphinic acid?
The InChIKey is BJSIWDKHJGJYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O3P/c1-2-19(17,18)14-11-7-6-10-13(14)15(16)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of (2-benzoylphenyl)-ethylphosphinic acid?
(2-benzoylphenyl)-ethylphosphinic acid has a molecular weight of 274.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoylphenyl)-ethylphosphinic acid is sourced from PubChem (CID 141024977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).