but-2-enoyloxy(phenyl)phosphinic acid

C10H11O4P — CID 151893149

IUPACbut-2-enoyloxy(phenyl)phosphinic acid
SMILESCC=CC(=O)OP(=O)(O)c1ccccc1
InChIInChI=1S/C10H11O4P/c1-2-6-10(11)14-15(12,13)9-7-4-3-5-8-9/h2-8H,1H3,(H,12,13)
InChIKeySRDVJJNMHURJIN-UHFFFAOYSA-N
MW226.17 g/mol
LogP1.62
Rot. Bonds3

About but-2-enoyloxy(phenyl)phosphinic acid

but-2-enoyloxy(phenyl)phosphinic acid (PubChem CID 151893149) has the molecular formula C10H11O4P and a molecular weight of 226.17 g/mol. Its IUPAC name is but-2-enoyloxy(phenyl)phosphinic acid.

Molecular Properties

Compound Namebut-2-enoyloxy(phenyl)phosphinic acid
PubChem CID151893149
Molecular FormulaC10H11O4P
Molecular Weight226.17 g/mol
Exact Mass226.04
IUPAC Namebut-2-enoyloxy(phenyl)phosphinic acid
SMILESCC=CC(=O)OP(=O)(O)c1ccccc1
InChIInChI=1S/C10H11O4P/c1-2-6-10(11)14-15(12,13)9-7-4-3-5-8-9/h2-8H,1H3,(H,12,13)
InChIKeySRDVJJNMHURJIN-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
CID 174823830
ethoxycarbonyloxy(phenyl)phosphinic acid
CID 141287038
pentanoyloxy(phenyl)phosphinic acid
CID 174749674
[(E)-but-2-enoyl] benzoate
CID 87397529
benzyl (E)-but-2-enoate
CID 5356259
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-but-2-enoate
CID 2507898
1-phenylethenyl but-2-enoate
CID 68623165
ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate
CID 143257589
2-phenylethyl (E)-but-2-enoate
CID 5354304
(2-methylphenyl)peroxy-phenylphosphinic acid
CID 140626535
(Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one
CID 89336042
[phenyl-di(propan-2-yl)silyl] but-2-enoate
CID 175274232

Frequently Asked Questions

What is the IUPAC name of but-2-enoyloxy(phenyl)phosphinic acid?
The IUPAC name of but-2-enoyloxy(phenyl)phosphinic acid (CID 151893149) is but-2-enoyloxy(phenyl)phosphinic acid.
What is the SMILES notation for but-2-enoyloxy(phenyl)phosphinic acid?
The canonical SMILES for but-2-enoyloxy(phenyl)phosphinic acid is CC=CC(=O)OP(=O)(O)c1ccccc1.
What is the InChIKey of but-2-enoyloxy(phenyl)phosphinic acid?
The InChIKey is SRDVJJNMHURJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O4P/c1-2-6-10(11)14-15(12,13)9-7-4-3-5-8-9/h2-8H,1H3,(H,12,13).
What are the key properties of but-2-enoyloxy(phenyl)phosphinic acid?
but-2-enoyloxy(phenyl)phosphinic acid has a molecular weight of 226.17 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoyloxy(phenyl)phosphinic acid is sourced from PubChem (CID 151893149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).