4-phosphorosobutan-2-ol

C4H9O2P — CID 154169603

IUPAC4-phosphorosobutan-2-ol
SMILESCC(O)CCP=O
InChIInChI=1S/C4H9O2P/c1-4(5)2-3-7-6/h4-5H,2-3H2,1H3
InChIKeyZSOBODULQZZMRB-UHFFFAOYSA-N
MW120.09 g/mol
LogP1.05
Rot. Bonds3

About 4-phosphorosobutan-2-ol

4-phosphorosobutan-2-ol (PubChem CID 154169603) has the molecular formula C4H9O2P and a molecular weight of 120.09 g/mol. Its IUPAC name is 4-phosphorosobutan-2-ol.

Molecular Properties

Compound Name4-phosphorosobutan-2-ol
PubChem CID154169603
Molecular FormulaC4H9O2P
Molecular Weight120.09 g/mol
Exact Mass120.03
IUPAC Name4-phosphorosobutan-2-ol
SMILESCC(O)CCP=O
InChIInChI=1S/C4H9O2P/c1-4(5)2-3-7-6/h4-5H,2-3H2,1H3
InChIKeyZSOBODULQZZMRB-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 51.05
H-Bond Donors ≤ 51
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 4-phosphorosobutan-2-ol?
The IUPAC name of 4-phosphorosobutan-2-ol (CID 154169603) is 4-phosphorosobutan-2-ol.
What is the SMILES notation for 4-phosphorosobutan-2-ol?
The canonical SMILES for 4-phosphorosobutan-2-ol is CC(O)CCP=O.
What is the InChIKey of 4-phosphorosobutan-2-ol?
The InChIKey is ZSOBODULQZZMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2P/c1-4(5)2-3-7-6/h4-5H,2-3H2,1H3.
What are the key properties of 4-phosphorosobutan-2-ol?
4-phosphorosobutan-2-ol has a molecular weight of 120.09 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphorosobutan-2-ol is sourced from PubChem (CID 154169603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).