dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium

C4H10O3P+ — CID 174793642

IUPACdihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium
SMILESC[P+](O)(O)CC=CO
InChIInChI=1S/C4H9O3P/c1-8(6,7)4-2-3-5/h2-3,6-7H,4H2,1H3/p+1
InChIKeyMFLKENKNGJNOQG-UHFFFAOYSA-O
MW137.09 g/mol
LogP0.52
Rot. Bonds2

About dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium

dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium (PubChem CID 174793642) has the molecular formula C4H10O3P+ and a molecular weight of 137.09 g/mol. Its IUPAC name is dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium.

Molecular Properties

Compound Namedihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium
PubChem CID174793642
Molecular FormulaC4H10O3P+
Molecular Weight137.09 g/mol
Exact Mass137.04
IUPAC Namedihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium
SMILESC[P+](O)(O)CC=CO
InChIInChI=1S/C4H9O3P/c1-8(6,7)4-2-3-5/h2-3,6-7H,4H2,1H3/p+1
InChIKeyMFLKENKNGJNOQG-UHFFFAOYSA-O
XLogP0.52
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.09
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-4-methylpent-1-en-1-ol
CID 22598252
4-(methylamino)pent-1-en-1-ol;hydrochloride
CID 173080856
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
butane-1,4-diol;butane-2,3-diol;(E)-but-1-ene-1,4-diol
CID 89438712
tetrakis(propan-2-ol);thulium
CID 174050117
4-(hydroxymethyl)pent-1-ene-1,5-diol
CID 173098330
(E)-octadec-1-ene-1,4-diol
CID 87483971
tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
CID 6395069
(E)-4-chloro-3-methylbut-1-en-1-ol
CID 141026739
(Z)-5-aminopent-4-en-2-ol
CID 130450410
1-chloropent-3-en-1-ol
CID 154207104
14-methylpentadec-1-en-1-ol
CID 87787742

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium?
The IUPAC name of dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium (CID 174793642) is dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium.
What is the SMILES notation for dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium?
The canonical SMILES for dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium is C[P+](O)(O)CC=CO.
What is the InChIKey of dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium?
The InChIKey is MFLKENKNGJNOQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O3P/c1-8(6,7)4-2-3-5/h2-3,6-7H,4H2,1H3/p+1.
What are the key properties of dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium?
dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium has a molecular weight of 137.09 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(3-hydroxyprop-2-enyl)-methylphosphanium is sourced from PubChem (CID 174793642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).