(4-hydroxy-3,5-dimethylphenyl)phosphonic acid

C8H11O4P — CID 70930655

IUPAC(4-hydroxy-3,5-dimethylphenyl)phosphonic acid
SMILESCc1cc(P(=O)(O)O)cc(C)c1O
InChIInChI=1S/C8H11O4P/c1-5-3-7(13(10,11)12)4-6(2)8(5)9/h3-4,9H,1-2H3,(H2,10,11,12)
InChIKeyWUGUYDRZLHYDHC-UHFFFAOYSA-N
MW202.15 g/mol
LogP0.81
Rot. Bonds1

About (4-hydroxy-3,5-dimethylphenyl)phosphonic acid

(4-hydroxy-3,5-dimethylphenyl)phosphonic acid (PubChem CID 70930655) has the molecular formula C8H11O4P and a molecular weight of 202.15 g/mol. Its IUPAC name is (4-hydroxy-3,5-dimethylphenyl)phosphonic acid.

Molecular Properties

Compound Name(4-hydroxy-3,5-dimethylphenyl)phosphonic acid
PubChem CID70930655
Molecular FormulaC8H11O4P
Molecular Weight202.15 g/mol
Exact Mass202.04
IUPAC Name(4-hydroxy-3,5-dimethylphenyl)phosphonic acid
SMILESCc1cc(P(=O)(O)O)cc(C)c1O
InChIInChI=1S/C8H11O4P/c1-5-3-7(13(10,11)12)4-6(2)8(5)9/h3-4,9H,1-2H3,(H2,10,11,12)
InChIKeyWUGUYDRZLHYDHC-UHFFFAOYSA-N
XLogP0.81
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-hydroxy-3,5-dimethylphenyl)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 (4-hydroxy-3,5-dimethylphenyl)phosphonic acid?
The IUPAC name of (4-hydroxy-3,5-dimethylphenyl)phosphonic acid (CID 70930655) is (4-hydroxy-3,5-dimethylphenyl)phosphonic acid.
What is the SMILES notation for (4-hydroxy-3,5-dimethylphenyl)phosphonic acid?
The canonical SMILES for (4-hydroxy-3,5-dimethylphenyl)phosphonic acid is Cc1cc(P(=O)(O)O)cc(C)c1O.
What is the InChIKey of (4-hydroxy-3,5-dimethylphenyl)phosphonic acid?
The InChIKey is WUGUYDRZLHYDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4P/c1-5-3-7(13(10,11)12)4-6(2)8(5)9/h3-4,9H,1-2H3,(H2,10,11,12).
What are the key properties of (4-hydroxy-3,5-dimethylphenyl)phosphonic acid?
(4-hydroxy-3,5-dimethylphenyl)phosphonic acid has a molecular weight of 202.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,5-dimethylphenyl)phosphonic acid is sourced from PubChem (CID 70930655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).