hydroxy-(2-hydroxybutyl)-oxophosphanium

C4H10O3P+ — CID 70087402

IUPAChydroxy-(2-hydroxybutyl)-oxophosphanium
SMILESCCC(O)C[P+](=O)O
InChIInChI=1S/C4H9O3P/c1-2-4(5)3-8(6)7/h4-5H,2-3H2,1H3/p+1
InChIKeyRBOVRYVBBSKPNP-UHFFFAOYSA-O
MW137.09 g/mol
LogP0.49
Rot. Bonds3

About hydroxy-(2-hydroxybutyl)-oxophosphanium

hydroxy-(2-hydroxybutyl)-oxophosphanium (PubChem CID 70087402) has the molecular formula C4H10O3P+ and a molecular weight of 137.09 g/mol. Its IUPAC name is hydroxy-(2-hydroxybutyl)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(2-hydroxybutyl)-oxophosphanium
PubChem CID70087402
Molecular FormulaC4H10O3P+
Molecular Weight137.09 g/mol
Exact Mass137.04
IUPAC Namehydroxy-(2-hydroxybutyl)-oxophosphanium
SMILESCCC(O)C[P+](=O)O
InChIInChI=1S/C4H9O3P/c1-2-4(5)3-8(6)7/h4-5H,2-3H2,1H3/p+1
InChIKeyRBOVRYVBBSKPNP-UHFFFAOYSA-O
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.09
LogP ≤ 50.49
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

2-fluoropropyl-hydroxy-oxophosphanium
CID 86621840
pentan-3-ol
CID 11428
pentan-3-ol;dihydrochloride
CID 141116397
2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
2-cyclopentylbutyl-hydroxy-oxophosphanium
CID 155059434
(3R,5R)-heptane-3,5-diol
CID 12641368
ethyl-hydroxy-oxophosphanium;dihydrochloride
CID 88745268
1-fluorobutan-2-ol
CID 13278453
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
butan-2-one;pentan-3-ol
CID 159181592
tetradecane-3,6,9,12-tetrol
CID 57081340

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-hydroxybutyl)-oxophosphanium?
The IUPAC name of hydroxy-(2-hydroxybutyl)-oxophosphanium (CID 70087402) is hydroxy-(2-hydroxybutyl)-oxophosphanium.
What is the SMILES notation for hydroxy-(2-hydroxybutyl)-oxophosphanium?
The canonical SMILES for hydroxy-(2-hydroxybutyl)-oxophosphanium is CCC(O)C[P+](=O)O.
What is the InChIKey of hydroxy-(2-hydroxybutyl)-oxophosphanium?
The InChIKey is RBOVRYVBBSKPNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O3P/c1-2-4(5)3-8(6)7/h4-5H,2-3H2,1H3/p+1.
What are the key properties of hydroxy-(2-hydroxybutyl)-oxophosphanium?
hydroxy-(2-hydroxybutyl)-oxophosphanium has a molecular weight of 137.09 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-hydroxybutyl)-oxophosphanium is sourced from PubChem (CID 70087402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).