diphenyl hydrogen phosphate;dihydrate

C12H15O6P — CID 21115845

IUPACdiphenyl hydrogen phosphate;dihydrate
SMILESO.O.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.2H2O/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;;/h1-10H,(H,13,14);2*1H2
InChIKeyCJSDGNSHKWKGHW-UHFFFAOYSA-N
MW286.22 g/mol
LogP1.60
Rot. Bonds4

About diphenyl hydrogen phosphate;dihydrate

diphenyl hydrogen phosphate;dihydrate (PubChem CID 21115845) has the molecular formula C12H15O6P and a molecular weight of 286.22 g/mol. Its IUPAC name is diphenyl hydrogen phosphate;dihydrate.

Molecular Properties

Compound Namediphenyl hydrogen phosphate;dihydrate
PubChem CID21115845
Molecular FormulaC12H15O6P
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Namediphenyl hydrogen phosphate;dihydrate
SMILESO.O.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.2H2O/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;;/h1-10H,(H,13,14);2*1H2
InChIKeyCJSDGNSHKWKGHW-UHFFFAOYSA-N
XLogP1.60
TPSA118.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
chloroform;diphenyl hydrogen phosphate
CID 174899919
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
phenoxy phenyl hydrogen phosphate
CID 172853202
hydroxy phenyl hydrogen phosphate
CID 19103302
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 67592807
methane;phenyl phosphono hydrogen phosphate
CID 88820079
dimethyl hydrogen phosphite;diphenyl hydrogen phosphate
CID 161171837
azane;(4-nitrophenyl) phenyl hydrogen phosphate
CID 154734089
diiminoazanium;diphenyl hydrogen phosphate;toluene
CID 174944323

Frequently Asked Questions

What is the IUPAC name of diphenyl hydrogen phosphate;dihydrate?
The IUPAC name of diphenyl hydrogen phosphate;dihydrate (CID 21115845) is diphenyl hydrogen phosphate;dihydrate.
What is the SMILES notation for diphenyl hydrogen phosphate;dihydrate?
The canonical SMILES for diphenyl hydrogen phosphate;dihydrate is O.O.O=P(O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl hydrogen phosphate;dihydrate?
The InChIKey is CJSDGNSHKWKGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P.2H2O/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;;/h1-10H,(H,13,14);2*1H2.
What are the key properties of diphenyl hydrogen phosphate;dihydrate?
diphenyl hydrogen phosphate;dihydrate has a molecular weight of 286.22 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl hydrogen phosphate;dihydrate is sourced from PubChem (CID 21115845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).