phenoxy dihydrogen phosphite

C6H7O4P — CID 22750423

IUPACphenoxy dihydrogen phosphite
SMILESOP(O)OOc1ccccc1
InChIInChI=1S/C6H7O4P/c7-11(8)10-9-6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyVKNCOIIKBXUDKP-UHFFFAOYSA-N
MW174.09 g/mol
LogP1.21
Rot. Bonds3

About phenoxy dihydrogen phosphite

phenoxy dihydrogen phosphite (PubChem CID 22750423) has the molecular formula C6H7O4P and a molecular weight of 174.09 g/mol. Its IUPAC name is phenoxy dihydrogen phosphite.

Molecular Properties

Compound Namephenoxy dihydrogen phosphite
PubChem CID22750423
Molecular FormulaC6H7O4P
Molecular Weight174.09 g/mol
Exact Mass174.01
IUPAC Namephenoxy dihydrogen phosphite
SMILESOP(O)OOc1ccccc1
InChIInChI=1S/C6H7O4P/c7-11(8)10-9-6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyVKNCOIIKBXUDKP-UHFFFAOYSA-N
XLogP1.21
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 51.21
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

amino phenoxy hydrogen phosphite;dihydrochloride
CID 175334218
bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
azane;phenylperoxybenzene
CID 174490395
strontium;hydride;phenyl dihydrogen phosphite
CID 173442477
calcium;hydride;phenyl dihydrogen phosphite
CID 173093871
potassium;hydride;phenylperoxybenzene
CID 174274599
phenoxy hypofluorite;hydrochloride
CID 161041711
ethane-1,2-diol;phenyl dihydrogen phosphite
CID 118162360
phenyl(phenylperoxy)borinic acid
CID 87134111
phenoxy hypochlorite
CID 18939078
O-phenoxyhydroxylamine
CID 20645120
phenoxy(phenyl)phosphinous acid
CID 21107296

Frequently Asked Questions

What is the IUPAC name of phenoxy dihydrogen phosphite?
The IUPAC name of phenoxy dihydrogen phosphite (CID 22750423) is phenoxy dihydrogen phosphite.
What is the SMILES notation for phenoxy dihydrogen phosphite?
The canonical SMILES for phenoxy dihydrogen phosphite is OP(O)OOc1ccccc1.
What is the InChIKey of phenoxy dihydrogen phosphite?
The InChIKey is VKNCOIIKBXUDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O4P/c7-11(8)10-9-6-4-2-1-3-5-6/h1-5,7-8H.
What are the key properties of phenoxy dihydrogen phosphite?
phenoxy dihydrogen phosphite has a molecular weight of 174.09 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy dihydrogen phosphite is sourced from PubChem (CID 22750423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).