3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol

C19H33N2O4P — CID 158088035

IUPAC3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol
SMILESCCCCCC(CC)(CC)P(=O)(O)O.OCCc1cnc2ccccn12
InChIInChI=1S/C10H23O3P.C9H10N2O/c1-4-7-8-9-10(5-2,6-3)14(11,12)13;12-6-4-8-7-10-9-3-1-2-5-11(8)9/h4-9H2,1-3H3,(H2,11,12,13);1-3,5,7,12H,4,6H2
InChIKeyFNTFQTMNGYLYJO-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.17
Rot. Bonds9

About 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol

3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol (PubChem CID 158088035) has the molecular formula C19H33N2O4P and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol.

Molecular Properties

Compound Name3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol
PubChem CID158088035
Molecular FormulaC19H33N2O4P
Molecular Weight384.46 g/mol
Exact Mass384.22
IUPAC Name3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol
SMILESCCCCCC(CC)(CC)P(=O)(O)O.OCCc1cnc2ccccn12
InChIInChI=1S/C10H23O3P.C9H10N2O/c1-4-7-8-9-10(5-2,6-3)14(11,12)13;12-6-4-8-7-10-9-3-1-2-5-11(8)9/h4-9H2,1-3H3,(H2,11,12,13);1-3,5,7,12H,4,6H2
InChIKeyFNTFQTMNGYLYJO-UHFFFAOYSA-N
XLogP4.17
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyldecan-3-ylphosphonic acid
CID 20522343
3-ethylicosan-3-ylphosphonic acid
CID 146503819
ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one
CID 145017960
imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
4-chlorobenzenethiol;3-ethyloctan-3-ylphosphonic acid;methane
CID 160953319
8-heptylpentacosan-8-ylphosphonic acid
CID 151553369
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
3-(2-methylpentan-2-yl)imidazo[1,2-a]pyridine
CID 135275036
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide
CID 14602276
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288

Frequently Asked Questions

What is the IUPAC name of 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol?
The IUPAC name of 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol (CID 158088035) is 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol.
What is the SMILES notation for 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol?
The canonical SMILES for 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol is CCCCCC(CC)(CC)P(=O)(O)O.OCCc1cnc2ccccn12.
What is the InChIKey of 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol?
The InChIKey is FNTFQTMNGYLYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3P.C9H10N2O/c1-4-7-8-9-10(5-2,6-3)14(11,12)13;12-6-4-8-7-10-9-3-1-2-5-11(8)9/h4-9H2,1-3H3,(H2,11,12,13);1-3,5,7,12H,4,6H2.
What are the key properties of 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol?
3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol has a molecular weight of 384.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol is sourced from PubChem (CID 158088035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).