(4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid

C11H17O4P — CID 129221031

IUPAC(4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid
SMILESCc1c(C)c(CP(=O)(O)O)c(C)c(C)c1O
InChIInChI=1S/C11H17O4P/c1-6-8(3)11(12)9(4)7(2)10(6)5-16(13,14)15/h12H,5H2,1-4H3,(H2,13,14,15)
InChIKeyUGBIDZGFYDPXKF-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.30
Rot. Bonds2

About (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid

(4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid (PubChem CID 129221031) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid.

Molecular Properties

Compound Name(4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid
PubChem CID129221031
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name(4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid
SMILESCc1c(C)c(CP(=O)(O)O)c(C)c(C)c1O
InChIInChI=1S/C11H17O4P/c1-6-8(3)11(12)9(4)7(2)10(6)5-16(13,14)15/h12H,5H2,1-4H3,(H2,13,14,15)
InChIKeyUGBIDZGFYDPXKF-UHFFFAOYSA-N
XLogP2.30
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.30
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 (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid?
The IUPAC name of (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid (CID 129221031) is (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid.
What is the SMILES notation for (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid?
The canonical SMILES for (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid is Cc1c(C)c(CP(=O)(O)O)c(C)c(C)c1O.
What is the InChIKey of (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid?
The InChIKey is UGBIDZGFYDPXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O4P/c1-6-8(3)11(12)9(4)7(2)10(6)5-16(13,14)15/h12H,5H2,1-4H3,(H2,13,14,15).
What are the key properties of (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid?
(4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid has a molecular weight of 244.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,3,5,6-tetramethylphenyl)methylphosphonic acid is sourced from PubChem (CID 129221031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).