2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid

C18H18NO5P — CID 54031053

IUPAC2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid
SMILESCOCCOP(=O)(O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C18H18NO5P/c1-23-10-11-24-25(21,22)17-9-8-16(19-18(17)20)15-7-6-13-4-2-3-5-14(13)12-15/h2-9,12H,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyLFPZIOSCTMECHM-UHFFFAOYSA-N
MW359.32 g/mol
LogP2.67
Rot. Bonds6

About 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid

2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid (PubChem CID 54031053) has the molecular formula C18H18NO5P and a molecular weight of 359.32 g/mol. Its IUPAC name is 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid.

Molecular Properties

Compound Name2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid
PubChem CID54031053
Molecular FormulaC18H18NO5P
Molecular Weight359.32 g/mol
Exact Mass359.09
IUPAC Name2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid
SMILESCOCCOP(=O)(O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C18H18NO5P/c1-23-10-11-24-25(21,22)17-9-8-16(19-18(17)20)15-7-6-13-4-2-3-5-14(13)12-15/h2-9,12H,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyLFPZIOSCTMECHM-UHFFFAOYSA-N
XLogP2.67
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 53650531
CID 53650531
CID 53658043
CID 53658043
CID 53684929
CID 53684929
CID 53687288
CID 53687288
CID 53711466
CID 53711466
CID 53823538
CID 53823538
CID 53833417
CID 53833417
CID 53930063
CID 53930063
CID 53950306
CID 53950306
CID 54001280
CID 54001280
CID 54016592
CID 54016592
CID 54060719
CID 54060719

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid?
The IUPAC name of 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid (CID 54031053) is 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid.
What is the SMILES notation for 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid?
The canonical SMILES for 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid is COCCOP(=O)(O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O.
What is the InChIKey of 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid?
The InChIKey is LFPZIOSCTMECHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NO5P/c1-23-10-11-24-25(21,22)17-9-8-16(19-18(17)20)15-7-6-13-4-2-3-5-14(13)12-15/h2-9,12H,10-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid?
2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid has a molecular weight of 359.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethoxy-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid is sourced from PubChem (CID 54031053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).