3-dimethylphosphorylphenol

C8H11O2P — CID 23423070

IUPAC3-dimethylphosphorylphenol
SMILESCP(C)(=O)c1cccc(O)c1
InChIInChI=1S/C8H11O2P/c1-11(2,10)8-5-3-4-7(9)6-8/h3-6,9H,1-2H3
InChIKeyOWXLRRUSCZTSCJ-UHFFFAOYSA-N
MW170.15 g/mol
LogP1.64
Rot. Bonds1

About 3-dimethylphosphorylphenol

3-dimethylphosphorylphenol (PubChem CID 23423070) has the molecular formula C8H11O2P and a molecular weight of 170.15 g/mol. Its IUPAC name is 3-dimethylphosphorylphenol.

Molecular Properties

Compound Name3-dimethylphosphorylphenol
PubChem CID23423070
Molecular FormulaC8H11O2P
Molecular Weight170.15 g/mol
Exact Mass170.05
IUPAC Name3-dimethylphosphorylphenol
SMILESCP(C)(=O)c1cccc(O)c1
InChIInChI=1S/C8H11O2P/c1-11(2,10)8-5-3-4-7(9)6-8/h3-6,9H,1-2H3
InChIKeyOWXLRRUSCZTSCJ-UHFFFAOYSA-N
XLogP1.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diol;phosphoric acid
CID 87069465
benzene-1,3-diol;phosphoric acid
CID 66603395
bis(benzene-1,3-diol);formaldehyde
CID 174734201
benzene-1,3-diol;formaldehyde;silver
CID 174852688
methyl 3-dimethylphosphorylbenzoate
CID 141300673
methylphosphonic acid;phenol
CID 175231709
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139
2,6-dichloro-4-[2-[(3-hydroxyphenyl)-methylphosphoryl]ethyl]benzoic acid
CID 137391212
benzene-1,3-diol;phosphane;phosphono dihydrogen phosphate
CID 174927128

Frequently Asked Questions

What is the IUPAC name of 3-dimethylphosphorylphenol?
The IUPAC name of 3-dimethylphosphorylphenol (CID 23423070) is 3-dimethylphosphorylphenol.
What is the SMILES notation for 3-dimethylphosphorylphenol?
The canonical SMILES for 3-dimethylphosphorylphenol is CP(C)(=O)c1cccc(O)c1.
What is the InChIKey of 3-dimethylphosphorylphenol?
The InChIKey is OWXLRRUSCZTSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2P/c1-11(2,10)8-5-3-4-7(9)6-8/h3-6,9H,1-2H3.
What are the key properties of 3-dimethylphosphorylphenol?
3-dimethylphosphorylphenol has a molecular weight of 170.15 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphorylphenol is sourced from PubChem (CID 23423070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).