2-phosphanylethynol

C2H3OP — CID 145154054

IUPAC2-phosphanylethynol
SMILESOC#CP
InChIInChI=1S/C2H3OP/c3-1-2-4/h3H,4H2
InChIKeyHNEGYVGZUCKOTJ-UHFFFAOYSA-N
MW74.02 g/mol
LogP0.15
Rot. Bonds

About 2-phosphanylethynol

2-phosphanylethynol (PubChem CID 145154054) has the molecular formula C2H3OP and a molecular weight of 74.02 g/mol. Its IUPAC name is 2-phosphanylethynol.

Molecular Properties

Compound Name2-phosphanylethynol
PubChem CID145154054
Molecular FormulaC2H3OP
Molecular Weight74.02 g/mol
Exact Mass73.99
IUPAC Name2-phosphanylethynol
SMILESOC#CP
InChIInChI=1S/C2H3OP/c3-1-2-4/h3H,4H2
InChIKeyHNEGYVGZUCKOTJ-UHFFFAOYSA-N
XLogP0.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.02
LogP ≤ 50.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-phosphanylethynol?
The IUPAC name of 2-phosphanylethynol (CID 145154054) is 2-phosphanylethynol.
What is the SMILES notation for 2-phosphanylethynol?
The canonical SMILES for 2-phosphanylethynol is OC#CP.
What is the InChIKey of 2-phosphanylethynol?
The InChIKey is HNEGYVGZUCKOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3OP/c3-1-2-4/h3H,4H2.
What are the key properties of 2-phosphanylethynol?
2-phosphanylethynol has a molecular weight of 74.02 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanylethynol is sourced from PubChem (CID 145154054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).