1-(2-hydroxyphenyl)ethylphosphonic acid

C8H11O4P — CID 165144464

IUPAC1-(2-hydroxyphenyl)ethylphosphonic acid
SMILESCC(c1ccccc1O)P(=O)(O)O
InChIInChI=1S/C8H11O4P/c1-6(13(10,11)12)7-4-2-3-5-8(7)9/h2-6,9H,1H3,(H2,10,11,12)
InChIKeyFBXVWBXRRYBOEJ-UHFFFAOYSA-N
MW202.15 g/mol
LogP1.63
Rot. Bonds2

About 1-(2-hydroxyphenyl)ethylphosphonic acid

1-(2-hydroxyphenyl)ethylphosphonic acid (PubChem CID 165144464) has the molecular formula C8H11O4P and a molecular weight of 202.15 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)ethylphosphonic acid.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)ethylphosphonic acid
PubChem CID165144464
Molecular FormulaC8H11O4P
Molecular Weight202.15 g/mol
Exact Mass202.04
IUPAC Name1-(2-hydroxyphenyl)ethylphosphonic acid
SMILESCC(c1ccccc1O)P(=O)(O)O
InChIInChI=1S/C8H11O4P/c1-6(13(10,11)12)7-4-2-3-5-8(7)9/h2-6,9H,1H3,(H2,10,11,12)
InChIKeyFBXVWBXRRYBOEJ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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

[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
[hydroxy-(2-methylphenyl)methyl]phosphonic acid
CID 130670017
lithium;hydride;2-propan-2-ylphenol
CID 175276368
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
2-(1-aminopropan-2-yl)phenol
CID 3028046
2-(1-nitrosoethyl)phenol
CID 54318967
[[2-[[[hydroxy(methyl)phosphoryl]-(2-hydroxyphenyl)methyl]amino]ethylamino]-(2-hydroxyphenyl)methyl]-methylphosphinic acid
CID 23422856
2-butan-2-ylphenol;formaldehyde
CID 66765994
bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid
CID 73235896
2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
2-(1-fluoropropan-2-yl)phenol
CID 19048051
2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol
CID 57015067

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)ethylphosphonic acid?
The IUPAC name of 1-(2-hydroxyphenyl)ethylphosphonic acid (CID 165144464) is 1-(2-hydroxyphenyl)ethylphosphonic acid.
What is the SMILES notation for 1-(2-hydroxyphenyl)ethylphosphonic acid?
The canonical SMILES for 1-(2-hydroxyphenyl)ethylphosphonic acid is CC(c1ccccc1O)P(=O)(O)O.
What is the InChIKey of 1-(2-hydroxyphenyl)ethylphosphonic acid?
The InChIKey is FBXVWBXRRYBOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4P/c1-6(13(10,11)12)7-4-2-3-5-8(7)9/h2-6,9H,1H3,(H2,10,11,12).
What are the key properties of 1-(2-hydroxyphenyl)ethylphosphonic acid?
1-(2-hydroxyphenyl)ethylphosphonic acid has a molecular weight of 202.15 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)ethylphosphonic acid is sourced from PubChem (CID 165144464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).