(2-hydroxy-3-propoxypropyl)phosphonic acid

C6H15O5P — CID 174615667

IUPAC(2-hydroxy-3-propoxypropyl)phosphonic acid
SMILESCCCOCC(O)CP(=O)(O)O
InChIInChI=1S/C6H15O5P/c1-2-3-11-4-6(7)5-12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)
InChIKeyUVLAKLDOFASRJQ-UHFFFAOYSA-N
MW198.15 g/mol
LogP-0.05
Rot. Bonds6

About (2-hydroxy-3-propoxypropyl)phosphonic acid

(2-hydroxy-3-propoxypropyl)phosphonic acid (PubChem CID 174615667) has the molecular formula C6H15O5P and a molecular weight of 198.15 g/mol. Its IUPAC name is (2-hydroxy-3-propoxypropyl)phosphonic acid.

Molecular Properties

Compound Name(2-hydroxy-3-propoxypropyl)phosphonic acid
PubChem CID174615667
Molecular FormulaC6H15O5P
Molecular Weight198.15 g/mol
Exact Mass198.07
IUPAC Name(2-hydroxy-3-propoxypropyl)phosphonic acid
SMILESCCCOCC(O)CP(=O)(O)O
InChIInChI=1S/C6H15O5P/c1-2-3-11-4-6(7)5-12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)
InChIKeyUVLAKLDOFASRJQ-UHFFFAOYSA-N
XLogP-0.05
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethoxy)butan-2-ol;phosphoric acid
CID 175300111
diethyl hydrogen phosphate;1-(2-hydroxybutoxy)butan-2-ol;1-[2-(2-hydroxybutoxy)ethoxy]butan-2-ol;methane;1-propoxypropane
CID 157391095
1-propoxy-3-sulfanylpropan-2-ol
CID 21487431
2-[(3-butoxy-2-hydroxypropyl)amino]ethylphosphonic acid
CID 175621225
3-hydroxy-4-propoxybutanamide
CID 169324241
ethane;(3-heptadecoxy-2-hydroxypropyl) dihydrogen phosphate
CID 159833302
carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium
CID 21014970
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
3-propoxypropylphosphonic acid
CID 89355602
1-(1-propoxypropan-2-yloxy)propan-2-yl dihydrogen phosphate
CID 139834702
1-hydroxy-3-(2-hydroxy-3-propoxypropoxy)propan-2-one
CID 123606617
methyl 3-propoxy-2-(propoxymethyl)propanoate
CID 176614670

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-propoxypropyl)phosphonic acid?
The IUPAC name of (2-hydroxy-3-propoxypropyl)phosphonic acid (CID 174615667) is (2-hydroxy-3-propoxypropyl)phosphonic acid.
What is the SMILES notation for (2-hydroxy-3-propoxypropyl)phosphonic acid?
The canonical SMILES for (2-hydroxy-3-propoxypropyl)phosphonic acid is CCCOCC(O)CP(=O)(O)O.
What is the InChIKey of (2-hydroxy-3-propoxypropyl)phosphonic acid?
The InChIKey is UVLAKLDOFASRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O5P/c1-2-3-11-4-6(7)5-12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10).
What are the key properties of (2-hydroxy-3-propoxypropyl)phosphonic acid?
(2-hydroxy-3-propoxypropyl)phosphonic acid has a molecular weight of 198.15 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-propoxypropyl)phosphonic acid is sourced from PubChem (CID 174615667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).