1-hydroxypropylphosphonic acid

C3H9O4P — CID 12625401

IUPAC1-hydroxypropylphosphonic acid
SMILESCCC(O)P(=O)(O)O
InChIInChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)
InChIKeyMVIJUJBSAAUHEM-UHFFFAOYSA-N
MW140.07 g/mol
LogP-0.11
Rot. Bonds2

About 1-hydroxypropylphosphonic acid

1-hydroxypropylphosphonic acid (PubChem CID 12625401) has the molecular formula C3H9O4P and a molecular weight of 140.07 g/mol. Its IUPAC name is 1-hydroxypropylphosphonic acid.

Molecular Properties

Compound Name1-hydroxypropylphosphonic acid
PubChem CID12625401
Molecular FormulaC3H9O4P
Molecular Weight140.07 g/mol
Exact Mass140.02
IUPAC Name1-hydroxypropylphosphonic acid
SMILESCCC(O)P(=O)(O)O
InChIInChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)
InChIKeyMVIJUJBSAAUHEM-UHFFFAOYSA-N
XLogP-0.11
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dimethylphosphorylpropan-1-ol
CID 59649408
[1-hydroxy-2-(methylamino)ethyl]phosphonic acid
CID 22237910
1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium
CID 87424977
(2-hydroxy-2-phosphonoethyl)-trimethylazanium
CID 19437707
CID 88618709
CID 88618709
hydrazine;(1-hydroxy-2-phosphonoethyl)phosphonic acid
CID 158563250
(1-hydroxy-3,3-diphosphonopropyl)phosphonic acid
CID 6452463
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
calcium;(2-hydroxy-2-phosphonoethyl)-trimethylazanium;tetrahydrate
CID 23618348
ethylphosphonic acid;zirconium
CID 161117919
ethylphosphonic acid;phosphoric acid
CID 87124135
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropylphosphonic acid?
The IUPAC name of 1-hydroxypropylphosphonic acid (CID 12625401) is 1-hydroxypropylphosphonic acid.
What is the SMILES notation for 1-hydroxypropylphosphonic acid?
The canonical SMILES for 1-hydroxypropylphosphonic acid is CCC(O)P(=O)(O)O.
What is the InChIKey of 1-hydroxypropylphosphonic acid?
The InChIKey is MVIJUJBSAAUHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7).
What are the key properties of 1-hydroxypropylphosphonic acid?
1-hydroxypropylphosphonic acid has a molecular weight of 140.07 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropylphosphonic acid is sourced from PubChem (CID 12625401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).