butyl(2-hydroxyethyl)phosphinic acid

C6H15O3P — CID 87233440

IUPACbutyl(2-hydroxyethyl)phosphinic acid
SMILESCCCCP(=O)(O)CCO
InChIInChI=1S/C6H15O3P/c1-2-3-5-10(8,9)6-4-7/h7H,2-6H2,1H3,(H,8,9)
InChIKeyDNOCUBHZNQMTPK-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.05
Rot. Bonds5

About butyl(2-hydroxyethyl)phosphinic acid

butyl(2-hydroxyethyl)phosphinic acid (PubChem CID 87233440) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is butyl(2-hydroxyethyl)phosphinic acid.

Molecular Properties

Compound Namebutyl(2-hydroxyethyl)phosphinic acid
PubChem CID87233440
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Namebutyl(2-hydroxyethyl)phosphinic acid
SMILESCCCCP(=O)(O)CCO
InChIInChI=1S/C6H15O3P/c1-2-3-5-10(8,9)6-4-7/h7H,2-6H2,1H3,(H,8,9)
InChIKeyDNOCUBHZNQMTPK-UHFFFAOYSA-N
XLogP1.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alumane;butyl(propyl)phosphinic acid
CID 174987333
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol
CID 172735074
butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride
CID 88803744
butylphosphonic acid;neodymium
CID 134499527
butyl(methyl)phosphinic acid
CID 10909622
CID 172720905
CID 172720905
butyl(2-cyclopentylethyl)phosphinic acid
CID 134348808
heptadecan-1-ol;phosphoric acid
CID 174616506

Frequently Asked Questions

What is the IUPAC name of butyl(2-hydroxyethyl)phosphinic acid?
The IUPAC name of butyl(2-hydroxyethyl)phosphinic acid (CID 87233440) is butyl(2-hydroxyethyl)phosphinic acid.
What is the SMILES notation for butyl(2-hydroxyethyl)phosphinic acid?
The canonical SMILES for butyl(2-hydroxyethyl)phosphinic acid is CCCCP(=O)(O)CCO.
What is the InChIKey of butyl(2-hydroxyethyl)phosphinic acid?
The InChIKey is DNOCUBHZNQMTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-2-3-5-10(8,9)6-4-7/h7H,2-6H2,1H3,(H,8,9).
What are the key properties of butyl(2-hydroxyethyl)phosphinic acid?
butyl(2-hydroxyethyl)phosphinic acid has a molecular weight of 166.16 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(2-hydroxyethyl)phosphinic acid is sourced from PubChem (CID 87233440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).