methanol;1-phosphanylpropan-1-ol

C4H13O2P — CID 89485594

IUPACmethanol;1-phosphanylpropan-1-ol
SMILESCCC(O)P.CO
InChIInChI=1S/C3H9OP.CH4O/c1-2-3(4)5;1-2/h3-4H,2,5H2,1H3;2H,1H3
InChIKeyIVUNWNQQSKBBOV-UHFFFAOYSA-N
MW124.12 g/mol
LogP0.20
Rot. Bonds1

About methanol;1-phosphanylpropan-1-ol

methanol;1-phosphanylpropan-1-ol (PubChem CID 89485594) has the molecular formula C4H13O2P and a molecular weight of 124.12 g/mol. Its IUPAC name is methanol;1-phosphanylpropan-1-ol.

Molecular Properties

Compound Namemethanol;1-phosphanylpropan-1-ol
PubChem CID89485594
Molecular FormulaC4H13O2P
Molecular Weight124.12 g/mol
Exact Mass124.07
IUPAC Namemethanol;1-phosphanylpropan-1-ol
SMILESCCC(O)P.CO
InChIInChI=1S/C3H9OP.CH4O/c1-2-3(4)5;1-2/h3-4H,2,5H2,1H3;2H,1H3
InChIKeyIVUNWNQQSKBBOV-UHFFFAOYSA-N
XLogP0.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;1-phosphanylpropan-1-ol?
The IUPAC name of methanol;1-phosphanylpropan-1-ol (CID 89485594) is methanol;1-phosphanylpropan-1-ol.
What is the SMILES notation for methanol;1-phosphanylpropan-1-ol?
The canonical SMILES for methanol;1-phosphanylpropan-1-ol is CCC(O)P.CO.
What is the InChIKey of methanol;1-phosphanylpropan-1-ol?
The InChIKey is IVUNWNQQSKBBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9OP.CH4O/c1-2-3(4)5;1-2/h3-4H,2,5H2,1H3;2H,1H3.
What are the key properties of methanol;1-phosphanylpropan-1-ol?
methanol;1-phosphanylpropan-1-ol has a molecular weight of 124.12 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-phosphanylpropan-1-ol is sourced from PubChem (CID 89485594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).