2-methylphosphanylethanol

C3H9OP — CID 21363171

IUPAC2-methylphosphanylethanol
SMILESCPCCO
InChIInChI=1S/C3H9OP/c1-5-3-2-4/h4-5H,2-3H2,1H3
InChIKeySTLXCEMMUUHBDV-UHFFFAOYSA-N
MW92.08 g/mol
LogP0.29
Rot. Bonds2

About 2-methylphosphanylethanol

2-methylphosphanylethanol (PubChem CID 21363171) has the molecular formula C3H9OP and a molecular weight of 92.08 g/mol. Its IUPAC name is 2-methylphosphanylethanol.

Molecular Properties

Compound Name2-methylphosphanylethanol
PubChem CID21363171
Molecular FormulaC3H9OP
Molecular Weight92.08 g/mol
Exact Mass92.04
IUPAC Name2-methylphosphanylethanol
SMILESCPCCO
InChIInChI=1S/C3H9OP/c1-5-3-2-4/h4-5H,2-3H2,1H3
InChIKeySTLXCEMMUUHBDV-UHFFFAOYSA-N
XLogP0.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.08
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylphosphanylethanol?
The IUPAC name of 2-methylphosphanylethanol (CID 21363171) is 2-methylphosphanylethanol.
What is the SMILES notation for 2-methylphosphanylethanol?
The canonical SMILES for 2-methylphosphanylethanol is CPCCO.
What is the InChIKey of 2-methylphosphanylethanol?
The InChIKey is STLXCEMMUUHBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9OP/c1-5-3-2-4/h4-5H,2-3H2,1H3.
What are the key properties of 2-methylphosphanylethanol?
2-methylphosphanylethanol has a molecular weight of 92.08 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphosphanylethanol is sourced from PubChem (CID 21363171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).