2-[hydroxy(phenyl)phosphoryl]propanoic acid

C9H11O4P — CID 69037711

IUPAC2-[hydroxy(phenyl)phosphoryl]propanoic acid
SMILESCC(C(=O)O)P(=O)(O)c1ccccc1
InChIInChI=1S/C9H11O4P/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)(H,12,13)
InChIKeyRRDNAHTXWJBSLH-UHFFFAOYSA-N
MW214.16 g/mol
LogP1.06
Rot. Bonds3

About 2-[hydroxy(phenyl)phosphoryl]propanoic acid

2-[hydroxy(phenyl)phosphoryl]propanoic acid (PubChem CID 69037711) has the molecular formula C9H11O4P and a molecular weight of 214.16 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)phosphoryl]propanoic acid.

Molecular Properties

Compound Name2-[hydroxy(phenyl)phosphoryl]propanoic acid
PubChem CID69037711
Molecular FormulaC9H11O4P
Molecular Weight214.16 g/mol
Exact Mass214.04
IUPAC Name2-[hydroxy(phenyl)phosphoryl]propanoic acid
SMILESCC(C(=O)O)P(=O)(O)c1ccccc1
InChIInChI=1S/C9H11O4P/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)(H,12,13)
InChIKeyRRDNAHTXWJBSLH-UHFFFAOYSA-N
XLogP1.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(methylamino)ethyl-phenylphosphinic acid
CID 12596027
4-diphenylphosphorylpent-1-en-3-one
CID 162717312
2-methylpropyl(phenyl)phosphinic acid
CID 793404
[(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid
CID 22873479
[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
CID 174823830
methyl(phenyl)phosphinic acid;zinc
CID 66618039
2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid
CID 134884381
[(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid
CID 101246303
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonic acid;terbium
CID 175289814
CID 66766975
CID 66766975
phenylphosphonic acid;phosphane
CID 157219344

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)phosphoryl]propanoic acid?
The IUPAC name of 2-[hydroxy(phenyl)phosphoryl]propanoic acid (CID 69037711) is 2-[hydroxy(phenyl)phosphoryl]propanoic acid.
What is the SMILES notation for 2-[hydroxy(phenyl)phosphoryl]propanoic acid?
The canonical SMILES for 2-[hydroxy(phenyl)phosphoryl]propanoic acid is CC(C(=O)O)P(=O)(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)phosphoryl]propanoic acid?
The InChIKey is RRDNAHTXWJBSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O4P/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[hydroxy(phenyl)phosphoryl]propanoic acid?
2-[hydroxy(phenyl)phosphoryl]propanoic acid has a molecular weight of 214.16 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)phosphoryl]propanoic acid is sourced from PubChem (CID 69037711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).