3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium

C9H11O4PPr — CID 175321703

IUPAC3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
SMILESO=C(O)CCP(=O)(O)c1ccccc1.[Pr]
InChIInChI=1S/C9H11O4P.Pr/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11)(H,12,13);
InChIKeyBTMJLUCASRDREK-UHFFFAOYSA-N
MW355.07 g/mol
LogP1.06
Rot. Bonds4

About 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium

3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium (PubChem CID 175321703) has the molecular formula C9H11O4PPr and a molecular weight of 355.07 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium.

Molecular Properties

Compound Name3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
PubChem CID175321703
Molecular FormulaC9H11O4PPr
Molecular Weight355.07 g/mol
Exact Mass354.95
IUPAC Name3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
SMILESO=C(O)CCP(=O)(O)c1ccccc1.[Pr]
InChIInChI=1S/C9H11O4P.Pr/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11)(H,12,13);
InChIKeyBTMJLUCASRDREK-UHFFFAOYSA-N
XLogP1.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.07
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

ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 90760124
2,2-bis(hydroxymethyl)propane-1,3-diol;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 174529163
3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid
CID 19011091
3-[(4-butylphenyl)-hydroxyphosphoryl]propanoic acid
CID 19011083
(3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid
CID 58971179
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
2-[2-[hydroxy(phenyl)phosphoryl]ethyl]-2-phosphonobutanedioic acid
CID 88765115
phenylphosphonic acid;terbium
CID 175289814
CID 66766975
CID 66766975
phenylphosphonic acid;phosphane
CID 157219344
diphenylphosphinic acid chloride
CID 53401992
2-methylpropyl(phenyl)phosphinic acid
CID 793404

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium?
The IUPAC name of 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium (CID 175321703) is 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium.
What is the SMILES notation for 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium?
The canonical SMILES for 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium is O=C(O)CCP(=O)(O)c1ccccc1.[Pr].
What is the InChIKey of 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium?
The InChIKey is BTMJLUCASRDREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O4P.Pr/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11)(H,12,13);.
What are the key properties of 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium?
3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium has a molecular weight of 355.07 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium is sourced from PubChem (CID 175321703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).