3-phosphanylpropan-1-ol;hydrate

C3H11O2P — CID 174643643

IUPAC3-phosphanylpropan-1-ol;hydrate
SMILESO.OCCCP
InChIInChI=1S/C3H9OP.H2O/c4-2-1-3-5;/h4H,1-3,5H2;1H2
InChIKeyCVODXMCCUUSOJM-UHFFFAOYSA-N
MW110.09 g/mol
LogP-0.58
Rot. Bonds2

About 3-phosphanylpropan-1-ol;hydrate

3-phosphanylpropan-1-ol;hydrate (PubChem CID 174643643) has the molecular formula C3H11O2P and a molecular weight of 110.09 g/mol. Its IUPAC name is 3-phosphanylpropan-1-ol;hydrate.

Molecular Properties

Compound Name3-phosphanylpropan-1-ol;hydrate
PubChem CID174643643
Molecular FormulaC3H11O2P
Molecular Weight110.09 g/mol
Exact Mass110.05
IUPAC Name3-phosphanylpropan-1-ol;hydrate
SMILESO.OCCCP
InChIInChI=1S/C3H9OP.H2O/c4-2-1-3-5;/h4H,1-3,5H2;1H2
InChIKeyCVODXMCCUUSOJM-UHFFFAOYSA-N
XLogP-0.58
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.09
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptan-1-ol;heptylphosphane
CID 88830692
4-phosphanylbutylphosphane
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2-(3-phosphanylpropylsulfanyl)ethanol
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azane;octakis(butane-1,4-diol)
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pentadecane-1,15-diol
CID 518994
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
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CID 157146691
CID 157146691
butane-1,4-diol;zinc
CID 170696072
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332

Frequently Asked Questions

What is the IUPAC name of 3-phosphanylpropan-1-ol;hydrate?
The IUPAC name of 3-phosphanylpropan-1-ol;hydrate (CID 174643643) is 3-phosphanylpropan-1-ol;hydrate.
What is the SMILES notation for 3-phosphanylpropan-1-ol;hydrate?
The canonical SMILES for 3-phosphanylpropan-1-ol;hydrate is O.OCCCP.
What is the InChIKey of 3-phosphanylpropan-1-ol;hydrate?
The InChIKey is CVODXMCCUUSOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9OP.H2O/c4-2-1-3-5;/h4H,1-3,5H2;1H2.
What are the key properties of 3-phosphanylpropan-1-ol;hydrate?
3-phosphanylpropan-1-ol;hydrate has a molecular weight of 110.09 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanylpropan-1-ol;hydrate is sourced from PubChem (CID 174643643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).