[hydroxy-(4-methylphenyl)methyl]phosphonic acid

C8H11O4P — CID 21265713

IUPAC[hydroxy-(4-methylphenyl)methyl]phosphonic acid
SMILESCc1ccc(C(O)P(=O)(O)O)cc1
InChIInChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)
InChIKeyAFOAUCXHAIELNA-UHFFFAOYSA-N
MW202.15 g/mol
LogP1.16
Rot. Bonds2

About [hydroxy-(4-methylphenyl)methyl]phosphonic acid

[hydroxy-(4-methylphenyl)methyl]phosphonic acid (PubChem CID 21265713) has the molecular formula C8H11O4P and a molecular weight of 202.15 g/mol. Its IUPAC name is [hydroxy-(4-methylphenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy-(4-methylphenyl)methyl]phosphonic acid
PubChem CID21265713
Molecular FormulaC8H11O4P
Molecular Weight202.15 g/mol
Exact Mass202.04
IUPAC Name[hydroxy-(4-methylphenyl)methyl]phosphonic acid
SMILESCc1ccc(C(O)P(=O)(O)O)cc1
InChIInChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)
InChIKeyAFOAUCXHAIELNA-UHFFFAOYSA-N
XLogP1.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[4-(dimethylamino)phenyl]-hydroxymethyl]phosphonic acid
CID 19356884
(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol
CID 15447343
diphenylphosphoryl-(4-methylphenyl)methanol
CID 135058741
[(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid
CID 14968025
[(4-methylphenyl)-phosphonomethyl] sulfite
CID 57111583
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
amino-(4-methylphenyl)methanol
CID 70304176
[(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium
CID 10932461
[hydroxy-(2-methylphenyl)methyl]phosphonic acid
CID 130670017
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
dimethylphosphoryl(phenyl)methanol
CID 58658737
(4-methylphenyl)methylphosphonic acid
CID 2773801

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(4-methylphenyl)methyl]phosphonic acid?
The IUPAC name of [hydroxy-(4-methylphenyl)methyl]phosphonic acid (CID 21265713) is [hydroxy-(4-methylphenyl)methyl]phosphonic acid.
What is the SMILES notation for [hydroxy-(4-methylphenyl)methyl]phosphonic acid?
The canonical SMILES for [hydroxy-(4-methylphenyl)methyl]phosphonic acid is Cc1ccc(C(O)P(=O)(O)O)cc1.
What is the InChIKey of [hydroxy-(4-methylphenyl)methyl]phosphonic acid?
The InChIKey is AFOAUCXHAIELNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12).
What are the key properties of [hydroxy-(4-methylphenyl)methyl]phosphonic acid?
[hydroxy-(4-methylphenyl)methyl]phosphonic acid has a molecular weight of 202.15 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(4-methylphenyl)methyl]phosphonic acid is sourced from PubChem (CID 21265713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).