(2-chlorophenoxy) dihydrogen phosphate

C6H6ClO5P — CID 175260184

IUPAC(2-chlorophenoxy) dihydrogen phosphate
SMILESO=P(O)(O)OOc1ccccc1Cl
InChIInChI=1S/C6H6ClO5P/c7-5-3-1-2-4-6(5)11-12-13(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyHZDAEJPQZBPFTO-UHFFFAOYSA-N
MW224.54 g/mol
LogP1.74
Rot. Bonds3

About (2-chlorophenoxy) dihydrogen phosphate

(2-chlorophenoxy) dihydrogen phosphate (PubChem CID 175260184) has the molecular formula C6H6ClO5P and a molecular weight of 224.54 g/mol. Its IUPAC name is (2-chlorophenoxy) dihydrogen phosphate.

Molecular Properties

Compound Name(2-chlorophenoxy) dihydrogen phosphate
PubChem CID175260184
Molecular FormulaC6H6ClO5P
Molecular Weight224.54 g/mol
Exact Mass223.96
IUPAC Name(2-chlorophenoxy) dihydrogen phosphate
SMILESO=P(O)(O)OOc1ccccc1Cl
InChIInChI=1S/C6H6ClO5P/c7-5-3-1-2-4-6(5)11-12-13(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyHZDAEJPQZBPFTO-UHFFFAOYSA-N
XLogP1.74
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.54
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
(2-chlorophenyl) ethaneperoxoate
CID 23043492
(2-chlorophenyl) nitro hydrogen phosphate
CID 139740859
chloro bis(2-chlorophenyl) phosphate
CID 68561656
1-(2-chlorophenoxy)propylphosphonic acid
CID 67896081
1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene
CID 154177622
1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene
CID 151760298
(2-chlorophenyl) nitrate
CID 141071843
(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
1-chloro-2-methoxybenzene
CID 13011
[(2-chlorophenyl)-difluoromethyl]phosphonic acid
CID 91535582

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenoxy) dihydrogen phosphate?
The IUPAC name of (2-chlorophenoxy) dihydrogen phosphate (CID 175260184) is (2-chlorophenoxy) dihydrogen phosphate.
What is the SMILES notation for (2-chlorophenoxy) dihydrogen phosphate?
The canonical SMILES for (2-chlorophenoxy) dihydrogen phosphate is O=P(O)(O)OOc1ccccc1Cl.
What is the InChIKey of (2-chlorophenoxy) dihydrogen phosphate?
The InChIKey is HZDAEJPQZBPFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClO5P/c7-5-3-1-2-4-6(5)11-12-13(8,9)10/h1-4H,(H2,8,9,10).
What are the key properties of (2-chlorophenoxy) dihydrogen phosphate?
(2-chlorophenoxy) dihydrogen phosphate has a molecular weight of 224.54 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenoxy) dihydrogen phosphate is sourced from PubChem (CID 175260184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).