2-amino-4-chloro-6-dimethylphosphorylphenol

C8H11ClNO2P — CID 130016945

IUPAC2-amino-4-chloro-6-dimethylphosphorylphenol
SMILESCP(C)(=O)c1cc(Cl)cc(N)c1O
InChIInChI=1S/C8H11ClNO2P/c1-13(2,12)7-4-5(9)3-6(10)8(7)11/h3-4,11H,10H2,1-2H3
InChIKeyLHSFMOCTVLCHKR-UHFFFAOYSA-N
MW219.61 g/mol
LogP1.88
Rot. Bonds1

About 2-amino-4-chloro-6-dimethylphosphorylphenol

2-amino-4-chloro-6-dimethylphosphorylphenol (PubChem CID 130016945) has the molecular formula C8H11ClNO2P and a molecular weight of 219.61 g/mol. Its IUPAC name is 2-amino-4-chloro-6-dimethylphosphorylphenol.

Molecular Properties

Compound Name2-amino-4-chloro-6-dimethylphosphorylphenol
PubChem CID130016945
Molecular FormulaC8H11ClNO2P
Molecular Weight219.61 g/mol
Exact Mass219.02
IUPAC Name2-amino-4-chloro-6-dimethylphosphorylphenol
SMILESCP(C)(=O)c1cc(Cl)cc(N)c1O
InChIInChI=1S/C8H11ClNO2P/c1-13(2,12)7-4-5(9)3-6(10)8(7)11/h3-4,11H,10H2,1-2H3
InChIKeyLHSFMOCTVLCHKR-UHFFFAOYSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.61
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-dimethylphosphorylphenol?
The IUPAC name of 2-amino-4-chloro-6-dimethylphosphorylphenol (CID 130016945) is 2-amino-4-chloro-6-dimethylphosphorylphenol.
What is the SMILES notation for 2-amino-4-chloro-6-dimethylphosphorylphenol?
The canonical SMILES for 2-amino-4-chloro-6-dimethylphosphorylphenol is CP(C)(=O)c1cc(Cl)cc(N)c1O.
What is the InChIKey of 2-amino-4-chloro-6-dimethylphosphorylphenol?
The InChIKey is LHSFMOCTVLCHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClNO2P/c1-13(2,12)7-4-5(9)3-6(10)8(7)11/h3-4,11H,10H2,1-2H3.
What are the key properties of 2-amino-4-chloro-6-dimethylphosphorylphenol?
2-amino-4-chloro-6-dimethylphosphorylphenol has a molecular weight of 219.61 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-dimethylphosphorylphenol is sourced from PubChem (CID 130016945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).