3-methylphosphanylprop-1-yn-1-ol

C4H7OP — CID 59893636

IUPAC3-methylphosphanylprop-1-yn-1-ol
SMILESCPCC#CO
InChIInChI=1S/C4H7OP/c1-6-4-2-3-5/h5-6H,4H2,1H3
InChIKeyQRANRRYIJAXYCD-UHFFFAOYSA-N
MW102.07 g/mol
LogP0.63
Rot. Bonds1

About 3-methylphosphanylprop-1-yn-1-ol

3-methylphosphanylprop-1-yn-1-ol (PubChem CID 59893636) has the molecular formula C4H7OP and a molecular weight of 102.07 g/mol. Its IUPAC name is 3-methylphosphanylprop-1-yn-1-ol.

Molecular Properties

Compound Name3-methylphosphanylprop-1-yn-1-ol
PubChem CID59893636
Molecular FormulaC4H7OP
Molecular Weight102.07 g/mol
Exact Mass102.02
IUPAC Name3-methylphosphanylprop-1-yn-1-ol
SMILESCPCC#CO
InChIInChI=1S/C4H7OP/c1-6-4-2-3-5/h5-6H,4H2,1H3
InChIKeyQRANRRYIJAXYCD-UHFFFAOYSA-N
XLogP0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methylphosphanylprop-1-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane
CID 159814369
but-1-yn-1-ol;hydrochloride
CID 71773502
but-1-yn-1-ol;hydrate
CID 155679812
2-methylphosphanylethanol
CID 21363171
ethanol;palladium
CID 87368677
dodec-1-yn-1-ol
CID 23002297
3-methylphosphanylpropan-1-ol
CID 57224781
3-propoxyprop-1-yn-1-ol
CID 141179069
3-ethylpent-1-yn-1-ol
CID 141179070
methyl(2-methylphosphanylethyl)phosphane
CID 16705511
but-1-yn-1-ol;hexan-1-ol;nitric acid;trihydrate
CID 173448789
5-but-2-ynoxypent-1-yn-1-ol
CID 88650630

Frequently Asked Questions

What is the IUPAC name of 3-methylphosphanylprop-1-yn-1-ol?
The IUPAC name of 3-methylphosphanylprop-1-yn-1-ol (CID 59893636) is 3-methylphosphanylprop-1-yn-1-ol.
What is the SMILES notation for 3-methylphosphanylprop-1-yn-1-ol?
The canonical SMILES for 3-methylphosphanylprop-1-yn-1-ol is CPCC#CO.
What is the InChIKey of 3-methylphosphanylprop-1-yn-1-ol?
The InChIKey is QRANRRYIJAXYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7OP/c1-6-4-2-3-5/h5-6H,4H2,1H3.
What are the key properties of 3-methylphosphanylprop-1-yn-1-ol?
3-methylphosphanylprop-1-yn-1-ol has a molecular weight of 102.07 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylphosphanylprop-1-yn-1-ol is sourced from PubChem (CID 59893636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).