ethane;methyl diphenyl phosphite

C17H25O3P — CID 161074644

IUPACethane;methyl diphenyl phosphite
SMILESCC.CC.COP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H13O3P.2C2H6/c1-14-17(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13;2*1-2/h2-11H,1H3;2*1-2H3
InChIKeyUFCJHWSJXLOBJO-UHFFFAOYSA-N
MW308.36 g/mol
LogP6.07
Rot. Bonds5

About ethane;methyl diphenyl phosphite

ethane;methyl diphenyl phosphite (PubChem CID 161074644) has the molecular formula C17H25O3P and a molecular weight of 308.36 g/mol. Its IUPAC name is ethane;methyl diphenyl phosphite.

Molecular Properties

Compound Nameethane;methyl diphenyl phosphite
PubChem CID161074644
Molecular FormulaC17H25O3P
Molecular Weight308.36 g/mol
Exact Mass308.15
IUPAC Nameethane;methyl diphenyl phosphite
SMILESCC.CC.COP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H13O3P.2C2H6/c1-14-17(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13;2*1-2/h2-11H,1H3;2*1-2H3
InChIKeyUFCJHWSJXLOBJO-UHFFFAOYSA-N
XLogP6.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.36
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;methyl diphenyl phosphite with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methyl diphenyl phosphite?
The IUPAC name of ethane;methyl diphenyl phosphite (CID 161074644) is ethane;methyl diphenyl phosphite.
What is the SMILES notation for ethane;methyl diphenyl phosphite?
The canonical SMILES for ethane;methyl diphenyl phosphite is CC.CC.COP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of ethane;methyl diphenyl phosphite?
The InChIKey is UFCJHWSJXLOBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O3P.2C2H6/c1-14-17(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13;2*1-2/h2-11H,1H3;2*1-2H3.
What are the key properties of ethane;methyl diphenyl phosphite?
ethane;methyl diphenyl phosphite has a molecular weight of 308.36 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl diphenyl phosphite is sourced from PubChem (CID 161074644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).