(2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate

C12H10ClO6P — CID 172721380

IUPAC(2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(OOc2ccccc2)c1Cl
InChIInChI=1S/C12H10ClO6P/c13-12-10(18-17-9-5-2-1-3-6-9)7-4-8-11(12)19-20(14,15)16/h1-8H,(H2,14,15,16)
InChIKeyGOFFLTUDLLZBAK-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.18
Rot. Bonds5

About (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate

(2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate (PubChem CID 172721380) has the molecular formula C12H10ClO6P and a molecular weight of 316.63 g/mol. Its IUPAC name is (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate
PubChem CID172721380
Molecular FormulaC12H10ClO6P
Molecular Weight316.63 g/mol
Exact Mass315.99
IUPAC Name(2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(OOc2ccccc2)c1Cl
InChIInChI=1S/C12H10ClO6P/c13-12-10(18-17-9-5-2-1-3-6-9)7-4-8-11(12)19-20(14,15)16/h1-8H,(H2,14,15,16)
InChIKeyGOFFLTUDLLZBAK-UHFFFAOYSA-N
XLogP3.18
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2,3-bis(phenylperoxy)phenyl] dihydrogen phosphate
CID 175372696
(3-bromo-2-chlorophenyl) dihydrogen phosphate
CID 54375223
(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
CID 131875092
CID 131875092
benzo[a]anthracen-4-yl dihydrogen phosphate
CID 175921011
(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
(2,3-diiodophenyl) dihydrogen phosphate
CID 154366629
(2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate
CID 68585112
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
methane;phenyl phosphono hydrogen phosphate
CID 88820079
phenoxy phenyl hydrogen phosphate
CID 172853202

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate?
The IUPAC name of (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate (CID 172721380) is (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate?
The canonical SMILES for (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate is O=P(O)(O)Oc1cccc(OOc2ccccc2)c1Cl.
What is the InChIKey of (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate?
The InChIKey is GOFFLTUDLLZBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClO6P/c13-12-10(18-17-9-5-2-1-3-6-9)7-4-8-11(12)19-20(14,15)16/h1-8H,(H2,14,15,16).
What are the key properties of (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate?
(2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate has a molecular weight of 316.63 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate is sourced from PubChem (CID 172721380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).