(5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid

C9H13O4P — CID 141279852

IUPAC(5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid
SMILESCc1c(O)cc(P(=O)(O)O)c(C)c1C
InChIInChI=1S/C9H13O4P/c1-5-6(2)8(10)4-9(7(5)3)14(11,12)13/h4,10H,1-3H3,(H2,11,12,13)
InChIKeyFZFJTQFYSQALEE-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.12
Rot. Bonds1

About (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid

(5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid (PubChem CID 141279852) has the molecular formula C9H13O4P and a molecular weight of 216.17 g/mol. Its IUPAC name is (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid.

Molecular Properties

Compound Name(5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid
PubChem CID141279852
Molecular FormulaC9H13O4P
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name(5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid
SMILESCc1c(O)cc(P(=O)(O)O)c(C)c1C
InChIInChI=1S/C9H13O4P/c1-5-6(2)8(10)4-9(7(5)3)14(11,12)13/h4,10H,1-3H3,(H2,11,12,13)
InChIKeyFZFJTQFYSQALEE-UHFFFAOYSA-N
XLogP1.12
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid?
The IUPAC name of (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid (CID 141279852) is (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid.
What is the SMILES notation for (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid?
The canonical SMILES for (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid is Cc1c(O)cc(P(=O)(O)O)c(C)c1C.
What is the InChIKey of (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid?
The InChIKey is FZFJTQFYSQALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O4P/c1-5-6(2)8(10)4-9(7(5)3)14(11,12)13/h4,10H,1-3H3,(H2,11,12,13).
What are the key properties of (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid?
(5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid has a molecular weight of 216.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2,3,4-trimethylphenyl)phosphonic acid is sourced from PubChem (CID 141279852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).