(2,5-diethylphenyl)phosphonic acid

C10H15O3P — CID 22104808

IUPAC(2,5-diethylphenyl)phosphonic acid
SMILESCCc1ccc(CC)c(P(=O)(O)O)c1
InChIInChI=1S/C10H15O3P/c1-3-8-5-6-9(4-2)10(7-8)14(11,12)13/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeySWCMKVYPESQXCJ-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.61
Rot. Bonds3

About (2,5-diethylphenyl)phosphonic acid

(2,5-diethylphenyl)phosphonic acid (PubChem CID 22104808) has the molecular formula C10H15O3P and a molecular weight of 214.20 g/mol. Its IUPAC name is (2,5-diethylphenyl)phosphonic acid.

Molecular Properties

Compound Name(2,5-diethylphenyl)phosphonic acid
PubChem CID22104808
Molecular FormulaC10H15O3P
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name(2,5-diethylphenyl)phosphonic acid
SMILESCCc1ccc(CC)c(P(=O)(O)O)c1
InChIInChI=1S/C10H15O3P/c1-3-8-5-6-9(4-2)10(7-8)14(11,12)13/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeySWCMKVYPESQXCJ-UHFFFAOYSA-N
XLogP1.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,5-diethylphenyl)phosphonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylphenyl)phosphonic acid?
The IUPAC name of (2,5-diethylphenyl)phosphonic acid (CID 22104808) is (2,5-diethylphenyl)phosphonic acid.
What is the SMILES notation for (2,5-diethylphenyl)phosphonic acid?
The canonical SMILES for (2,5-diethylphenyl)phosphonic acid is CCc1ccc(CC)c(P(=O)(O)O)c1.
What is the InChIKey of (2,5-diethylphenyl)phosphonic acid?
The InChIKey is SWCMKVYPESQXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3P/c1-3-8-5-6-9(4-2)10(7-8)14(11,12)13/h5-7H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of (2,5-diethylphenyl)phosphonic acid?
(2,5-diethylphenyl)phosphonic acid has a molecular weight of 214.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylphenyl)phosphonic acid is sourced from PubChem (CID 22104808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).