[(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid

C15H18NO5P — CID 10426329

IUPAC[(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid
SMILESCc1cnc(C)c(OCc2ccccc2)c1C(O)P(=O)(O)O
InChIInChI=1S/C15H18NO5P/c1-10-8-16-11(2)14(13(10)15(17)22(18,19)20)21-9-12-6-4-3-5-7-12/h3-8,15,17H,9H2,1-2H3,(H2,18,19,20)
InChIKeyKWNNBJFFUBOICM-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.45
Rot. Bonds5

About [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid

[(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid (PubChem CID 10426329) has the molecular formula C15H18NO5P and a molecular weight of 323.29 g/mol. Its IUPAC name is [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid.

Molecular Properties

Compound Name[(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid
PubChem CID10426329
Molecular FormulaC15H18NO5P
Molecular Weight323.29 g/mol
Exact Mass323.09
IUPAC Name[(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid
SMILESCc1cnc(C)c(OCc2ccccc2)c1C(O)P(=O)(O)O
InChIInChI=1S/C15H18NO5P/c1-10-8-16-11(2)14(13(10)15(17)22(18,19)20)21-9-12-6-4-3-5-7-12/h3-8,15,17H,9H2,1-2H3,(H2,18,19,20)
InChIKeyKWNNBJFFUBOICM-UHFFFAOYSA-N
XLogP2.45
TPSA99.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol
CID 15619962
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide
CID 162144385
4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
CID 166140574
5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
CID 52987753
1-phenylmethoxyethylphosphonic acid
CID 174787824
2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol
CID 171366492
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102545457
(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
CID 171366218
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
4-chloro-3,5-dimethyl-2-phenylmethoxypyridine
CID 139821187
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451

Frequently Asked Questions

What is the IUPAC name of [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid?
The IUPAC name of [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid (CID 10426329) is [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid.
What is the SMILES notation for [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid?
The canonical SMILES for [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid is Cc1cnc(C)c(OCc2ccccc2)c1C(O)P(=O)(O)O.
What is the InChIKey of [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid?
The InChIKey is KWNNBJFFUBOICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO5P/c1-10-8-16-11(2)14(13(10)15(17)22(18,19)20)21-9-12-6-4-3-5-7-12/h3-8,15,17H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid?
[(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid has a molecular weight of 323.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid is sourced from PubChem (CID 10426329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).