dimethyl hydrogen phosphite;diphenyl hydrogen phosphate

C14H18O7P2 — CID 161171837

IUPACdimethyl hydrogen phosphite;diphenyl hydrogen phosphate
SMILESCOP(O)OC.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C2H7O3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-4-6(3)5-2/h1-10H,(H,13,14);3H,1-2H3
InChIKeyURHAOWMJPMYGGA-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.74
Rot. Bonds6

About dimethyl hydrogen phosphite;diphenyl hydrogen phosphate

dimethyl hydrogen phosphite;diphenyl hydrogen phosphate (PubChem CID 161171837) has the molecular formula C14H18O7P2 and a molecular weight of 360.24 g/mol. Its IUPAC name is dimethyl hydrogen phosphite;diphenyl hydrogen phosphate.

Molecular Properties

Compound Namedimethyl hydrogen phosphite;diphenyl hydrogen phosphate
PubChem CID161171837
Molecular FormulaC14H18O7P2
Molecular Weight360.24 g/mol
Exact Mass360.05
IUPAC Namedimethyl hydrogen phosphite;diphenyl hydrogen phosphate
SMILESCOP(O)OC.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C2H7O3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-4-6(3)5-2/h1-10H,(H,13,14);3H,1-2H3
InChIKeyURHAOWMJPMYGGA-UHFFFAOYSA-N
XLogP3.74
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl hydrogen phosphite;diphenyl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
chloroform;diphenyl hydrogen phosphate
CID 174899919
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
hydroxy phenyl hydrogen phosphate
CID 19103302
diiminoazanium;diphenyl hydrogen phosphate;toluene
CID 174944323
[hydroxy(phenoxy)phosphoryl] acetate
CID 10198286
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 67592807
phenoxy phenyl hydrogen phosphate
CID 172853202
methane;phenyl phosphono hydrogen phosphate
CID 88820079

Frequently Asked Questions

What is the IUPAC name of dimethyl hydrogen phosphite;diphenyl hydrogen phosphate?
The IUPAC name of dimethyl hydrogen phosphite;diphenyl hydrogen phosphate (CID 161171837) is dimethyl hydrogen phosphite;diphenyl hydrogen phosphate.
What is the SMILES notation for dimethyl hydrogen phosphite;diphenyl hydrogen phosphate?
The canonical SMILES for dimethyl hydrogen phosphite;diphenyl hydrogen phosphate is COP(O)OC.O=P(O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of dimethyl hydrogen phosphite;diphenyl hydrogen phosphate?
The InChIKey is URHAOWMJPMYGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P.C2H7O3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-4-6(3)5-2/h1-10H,(H,13,14);3H,1-2H3.
What are the key properties of dimethyl hydrogen phosphite;diphenyl hydrogen phosphate?
dimethyl hydrogen phosphite;diphenyl hydrogen phosphate has a molecular weight of 360.24 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hydrogen phosphite;diphenyl hydrogen phosphate is sourced from PubChem (CID 161171837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).