[hydroxy-(2-methylphenyl)methyl]phosphonic acid

C8H11O4P — CID 130670017

IUPAC[hydroxy-(2-methylphenyl)methyl]phosphonic acid
SMILESCc1ccccc1C(O)P(=O)(O)O
InChIInChI=1S/C8H11O4P/c1-6-4-2-3-5-7(6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)
InChIKeyWNTJVIBYVPZLAO-UHFFFAOYSA-N
MW202.15 g/mol
LogP1.16
Rot. Bonds2

About [hydroxy-(2-methylphenyl)methyl]phosphonic acid

[hydroxy-(2-methylphenyl)methyl]phosphonic acid (PubChem CID 130670017) has the molecular formula C8H11O4P and a molecular weight of 202.15 g/mol. Its IUPAC name is [hydroxy-(2-methylphenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy-(2-methylphenyl)methyl]phosphonic acid
PubChem CID130670017
Molecular FormulaC8H11O4P
Molecular Weight202.15 g/mol
Exact Mass202.04
IUPAC Name[hydroxy-(2-methylphenyl)methyl]phosphonic acid
SMILESCc1ccccc1C(O)P(=O)(O)O
InChIInChI=1S/C8H11O4P/c1-6-4-2-3-5-7(6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)
InChIKeyWNTJVIBYVPZLAO-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

bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid
CID 73235896
[hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid
CID 70509742
1-(2-hydroxyphenyl)ethylphosphonic acid
CID 165144464
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
acetic acid;(2-methylphenyl)methanediol
CID 71361235
1-hydroxy-3-methyl-1-(2-methylphenyl)butan-2-one
CID 59036554
2-hydroxy-4-(2-methylphenyl)pentan-3-one
CID 66769752
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
[hydroxy-(4-methylphenyl)methyl]phosphonic acid
CID 21265713
1-(2-methylphenyl)-2-methylsulfonylbutan-1-ol
CID 102550150
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
(2-methylphenyl)-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol
CID 134977791

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(2-methylphenyl)methyl]phosphonic acid?
The IUPAC name of [hydroxy-(2-methylphenyl)methyl]phosphonic acid (CID 130670017) is [hydroxy-(2-methylphenyl)methyl]phosphonic acid.
What is the SMILES notation for [hydroxy-(2-methylphenyl)methyl]phosphonic acid?
The canonical SMILES for [hydroxy-(2-methylphenyl)methyl]phosphonic acid is Cc1ccccc1C(O)P(=O)(O)O.
What is the InChIKey of [hydroxy-(2-methylphenyl)methyl]phosphonic acid?
The InChIKey is WNTJVIBYVPZLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4P/c1-6-4-2-3-5-7(6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12).
What are the key properties of [hydroxy-(2-methylphenyl)methyl]phosphonic acid?
[hydroxy-(2-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-(2-methylphenyl)methyl]phosphonic acid is sourced from PubChem (CID 130670017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).