2-ethoxyethyl-(4-methylphenyl)phosphinic acid

C11H17O3P — CID 118860001

IUPAC2-ethoxyethyl-(4-methylphenyl)phosphinic acid
SMILESCCOCCP(=O)(O)c1ccc(C)cc1
InChIInChI=1S/C11H17O3P/c1-3-14-8-9-15(12,13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,12,13)
InChIKeyHMMAXEWGSYHPBI-UHFFFAOYSA-N
MW228.23 g/mol
LogP1.93
Rot. Bonds5

About 2-ethoxyethyl-(4-methylphenyl)phosphinic acid

2-ethoxyethyl-(4-methylphenyl)phosphinic acid (PubChem CID 118860001) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-ethoxyethyl-(4-methylphenyl)phosphinic acid.

Molecular Properties

Compound Name2-ethoxyethyl-(4-methylphenyl)phosphinic acid
PubChem CID118860001
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name2-ethoxyethyl-(4-methylphenyl)phosphinic acid
SMILESCCOCCP(=O)(O)c1ccc(C)cc1
InChIInChI=1S/C11H17O3P/c1-3-14-8-9-15(12,13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,12,13)
InChIKeyHMMAXEWGSYHPBI-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethoxyethyl-(4-methylphenyl)phosphinic acid?
The IUPAC name of 2-ethoxyethyl-(4-methylphenyl)phosphinic acid (CID 118860001) is 2-ethoxyethyl-(4-methylphenyl)phosphinic acid.
What is the SMILES notation for 2-ethoxyethyl-(4-methylphenyl)phosphinic acid?
The canonical SMILES for 2-ethoxyethyl-(4-methylphenyl)phosphinic acid is CCOCCP(=O)(O)c1ccc(C)cc1.
What is the InChIKey of 2-ethoxyethyl-(4-methylphenyl)phosphinic acid?
The InChIKey is HMMAXEWGSYHPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-3-14-8-9-15(12,13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,12,13).
What are the key properties of 2-ethoxyethyl-(4-methylphenyl)phosphinic acid?
2-ethoxyethyl-(4-methylphenyl)phosphinic acid has a molecular weight of 228.23 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl-(4-methylphenyl)phosphinic acid is sourced from PubChem (CID 118860001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).