ethoxycarbonyloxy(phenyl)phosphinic acid

C9H11O5P — CID 141287038

IUPACethoxycarbonyloxy(phenyl)phosphinic acid
SMILESCCOC(=O)OP(=O)(O)c1ccccc1
InChIInChI=1S/C9H11O5P/c1-2-13-9(10)14-15(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)
InChIKeyOFNZBPPGDKHPNJ-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.67
Rot. Bonds3

About ethoxycarbonyloxy(phenyl)phosphinic acid

ethoxycarbonyloxy(phenyl)phosphinic acid (PubChem CID 141287038) has the molecular formula C9H11O5P and a molecular weight of 230.16 g/mol. Its IUPAC name is ethoxycarbonyloxy(phenyl)phosphinic acid.

Molecular Properties

Compound Nameethoxycarbonyloxy(phenyl)phosphinic acid
PubChem CID141287038
Molecular FormulaC9H11O5P
Molecular Weight230.16 g/mol
Exact Mass230.03
IUPAC Nameethoxycarbonyloxy(phenyl)phosphinic acid
SMILESCCOC(=O)OP(=O)(O)c1ccccc1
InChIInChI=1S/C9H11O5P/c1-2-13-9(10)14-15(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)
InChIKeyOFNZBPPGDKHPNJ-UHFFFAOYSA-N
XLogP1.67
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxycarbonyloxy(hydroxy)phosphoryl]-2-phenylacetic acid
CID 87513141
[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
CID 174823830
pentanoyloxy(phenyl)phosphinic acid
CID 174749674
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
but-2-enoyloxy(phenyl)phosphinic acid
CID 151893149
2,2-dimethylpropoxy(phenyl)phosphinic acid
CID 54533084
ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate
CID 71159094
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
CID 11471690
2-aminoethoxy(phenyl)phosphinic acid
CID 23257414
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
2-(2-ethoxycarbonyloxyphenyl)acetic acid
CID 122517223
2-[hydroxy(propoxycarbonyloxy)phosphoryl]-2-phenylacetic acid
CID 22218919

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyloxy(phenyl)phosphinic acid?
The IUPAC name of ethoxycarbonyloxy(phenyl)phosphinic acid (CID 141287038) is ethoxycarbonyloxy(phenyl)phosphinic acid.
What is the SMILES notation for ethoxycarbonyloxy(phenyl)phosphinic acid?
The canonical SMILES for ethoxycarbonyloxy(phenyl)phosphinic acid is CCOC(=O)OP(=O)(O)c1ccccc1.
What is the InChIKey of ethoxycarbonyloxy(phenyl)phosphinic acid?
The InChIKey is OFNZBPPGDKHPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O5P/c1-2-13-9(10)14-15(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12).
What are the key properties of ethoxycarbonyloxy(phenyl)phosphinic acid?
ethoxycarbonyloxy(phenyl)phosphinic acid has a molecular weight of 230.16 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyloxy(phenyl)phosphinic acid is sourced from PubChem (CID 141287038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).