ethane-1,2-diol;phenyl dihydrogen phosphite

C8H13O5P — CID 118162360

IUPACethane-1,2-diol;phenyl dihydrogen phosphite
SMILESOCCO.OP(O)Oc1ccccc1
InChIInChI=1S/C6H7O3P.C2H6O2/c7-10(8)9-6-4-2-1-3-5-6;3-1-2-4/h1-5,7-8H;3-4H,1-2H2
InChIKeyFTZTYIHGBSDZBB-UHFFFAOYSA-N
MW220.16 g/mol
LogP0.25
Rot. Bonds3

About ethane-1,2-diol;phenyl dihydrogen phosphite

ethane-1,2-diol;phenyl dihydrogen phosphite (PubChem CID 118162360) has the molecular formula C8H13O5P and a molecular weight of 220.16 g/mol. Its IUPAC name is ethane-1,2-diol;phenyl dihydrogen phosphite.

Molecular Properties

Compound Nameethane-1,2-diol;phenyl dihydrogen phosphite
PubChem CID118162360
Molecular FormulaC8H13O5P
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Nameethane-1,2-diol;phenyl dihydrogen phosphite
SMILESOCCO.OP(O)Oc1ccccc1
InChIInChI=1S/C6H7O3P.C2H6O2/c7-10(8)9-6-4-2-1-3-5-6;3-1-2-4/h1-5,7-8H;3-4H,1-2H2
InChIKeyFTZTYIHGBSDZBB-UHFFFAOYSA-N
XLogP0.25
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;phenyl dihydrogen phosphite?
The IUPAC name of ethane-1,2-diol;phenyl dihydrogen phosphite (CID 118162360) is ethane-1,2-diol;phenyl dihydrogen phosphite.
What is the SMILES notation for ethane-1,2-diol;phenyl dihydrogen phosphite?
The canonical SMILES for ethane-1,2-diol;phenyl dihydrogen phosphite is OCCO.OP(O)Oc1ccccc1.
What is the InChIKey of ethane-1,2-diol;phenyl dihydrogen phosphite?
The InChIKey is FTZTYIHGBSDZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O3P.C2H6O2/c7-10(8)9-6-4-2-1-3-5-6;3-1-2-4/h1-5,7-8H;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;phenyl dihydrogen phosphite?
ethane-1,2-diol;phenyl dihydrogen phosphite has a molecular weight of 220.16 g/mol, XLogP of 0.25, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;phenyl dihydrogen phosphite is sourced from PubChem (CID 118162360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).