2-aminoethoxy(phenyl)phosphinic acid

C8H12NO3P — CID 23257414

IUPAC2-aminoethoxy(phenyl)phosphinic acid
SMILESNCCOP(=O)(O)c1ccccc1
InChIInChI=1S/C8H12NO3P/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,6-7,9H2,(H,10,11)
InChIKeyBDKYWFKXUFYTQJ-UHFFFAOYSA-N
MW201.16 g/mol
LogP0.47
Rot. Bonds4

About 2-aminoethoxy(phenyl)phosphinic acid

2-aminoethoxy(phenyl)phosphinic acid (PubChem CID 23257414) has the molecular formula C8H12NO3P and a molecular weight of 201.16 g/mol. Its IUPAC name is 2-aminoethoxy(phenyl)phosphinic acid.

Molecular Properties

Compound Name2-aminoethoxy(phenyl)phosphinic acid
PubChem CID23257414
Molecular FormulaC8H12NO3P
Molecular Weight201.16 g/mol
Exact Mass201.06
IUPAC Name2-aminoethoxy(phenyl)phosphinic acid
SMILESNCCOP(=O)(O)c1ccccc1
InChIInChI=1S/C8H12NO3P/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,6-7,9H2,(H,10,11)
InChIKeyBDKYWFKXUFYTQJ-UHFFFAOYSA-N
XLogP0.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-3-ynoxy(phenyl)phosphinic acid
CID 88830829
2,2-dimethylpropoxy(phenyl)phosphinic acid
CID 54533084
phenyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 118440971
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
phenyl(trichloromethoxy)phosphinic acid
CID 88763731
ethoxycarbonyloxy(phenyl)phosphinic acid
CID 141287038
phenylphosphonamidic acid
CID 18388605
[2-hydroxy-1-[hydroxy(phenyl)phosphoryl]oxyethyl]peroxy-phenylphosphinic acid
CID 175180083
(1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid
CID 15309993
[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
CID 174823830
2-ethylhexoxy(phenyl)phosphinic acid
CID 14299722
2-hexyldodecoxy(phenyl)phosphinic acid
CID 10223298

Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy(phenyl)phosphinic acid?
The IUPAC name of 2-aminoethoxy(phenyl)phosphinic acid (CID 23257414) is 2-aminoethoxy(phenyl)phosphinic acid.
What is the SMILES notation for 2-aminoethoxy(phenyl)phosphinic acid?
The canonical SMILES for 2-aminoethoxy(phenyl)phosphinic acid is NCCOP(=O)(O)c1ccccc1.
What is the InChIKey of 2-aminoethoxy(phenyl)phosphinic acid?
The InChIKey is BDKYWFKXUFYTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO3P/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,6-7,9H2,(H,10,11).
What are the key properties of 2-aminoethoxy(phenyl)phosphinic acid?
2-aminoethoxy(phenyl)phosphinic acid has a molecular weight of 201.16 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy(phenyl)phosphinic acid is sourced from PubChem (CID 23257414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).