4-hydroxybutyl phosphate

C4H9O5P-2 — CID 57468087

IUPAC4-hydroxybutyl phosphate
SMILESO=P([O-])([O-])OCCCCO
InChIInChI=1S/C4H11O5P/c5-3-1-2-4-9-10(6,7)8/h5H,1-4H2,(H2,6,7,8)/p-2
InChIKeyLZINOQJQXIEBNN-UHFFFAOYSA-L
MW168.08 g/mol
LogP-1.40
Rot. Bonds5

About 4-hydroxybutyl phosphate

4-hydroxybutyl phosphate (PubChem CID 57468087) has the molecular formula C4H9O5P-2 and a molecular weight of 168.08 g/mol. Its IUPAC name is 4-hydroxybutyl phosphate.

Molecular Properties

Compound Name4-hydroxybutyl phosphate
PubChem CID57468087
Molecular FormulaC4H9O5P-2
Molecular Weight168.08 g/mol
Exact Mass168.02
IUPAC Name4-hydroxybutyl phosphate
SMILESO=P([O-])([O-])OCCCCO
InChIInChI=1S/C4H11O5P/c5-3-1-2-4-9-10(6,7)8/h5H,1-4H2,(H2,6,7,8)/p-2
InChIKeyLZINOQJQXIEBNN-UHFFFAOYSA-L
XLogP-1.40
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl phosphate?
The IUPAC name of 4-hydroxybutyl phosphate (CID 57468087) is 4-hydroxybutyl phosphate.
What is the SMILES notation for 4-hydroxybutyl phosphate?
The canonical SMILES for 4-hydroxybutyl phosphate is O=P([O-])([O-])OCCCCO.
What is the InChIKey of 4-hydroxybutyl phosphate?
The InChIKey is LZINOQJQXIEBNN-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O5P/c5-3-1-2-4-9-10(6,7)8/h5H,1-4H2,(H2,6,7,8)/p-2.
What are the key properties of 4-hydroxybutyl phosphate?
4-hydroxybutyl phosphate has a molecular weight of 168.08 g/mol, XLogP of -1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl phosphate is sourced from PubChem (CID 57468087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).