ethane;methyl-phenoxy-phenylphosphane

C15H19OP — CID 162523152

IUPACethane;methyl-phenoxy-phenylphosphane
SMILESCC.CP(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13OP.C2H6/c1-15(13-10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-2/h2-11H,1H3;1-2H3
InChIKeyQGUCJNFOXREWMH-UHFFFAOYSA-N
MW246.29 g/mol
LogP4.44
Rot. Bonds3

About ethane;methyl-phenoxy-phenylphosphane

ethane;methyl-phenoxy-phenylphosphane (PubChem CID 162523152) has the molecular formula C15H19OP and a molecular weight of 246.29 g/mol. Its IUPAC name is ethane;methyl-phenoxy-phenylphosphane.

Molecular Properties

Compound Nameethane;methyl-phenoxy-phenylphosphane
PubChem CID162523152
Molecular FormulaC15H19OP
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Nameethane;methyl-phenoxy-phenylphosphane
SMILESCC.CP(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13OP.C2H6/c1-15(13-10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-2/h2-11H,1H3;1-2H3
InChIKeyQGUCJNFOXREWMH-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenoxy(diphenyl)phosphane
CID 11543680
phenoxy(phenyl)phosphinous acid
CID 21107296
ethane;methyl diphenyl phosphite
CID 161074644
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
carbon monoxide;manganese;bis(triphenyl phosphite)
CID 135047588
bis(3-fluorophenyl)-phenoxyphosphane
CID 141190164
(3-methylphenyl)-phenoxy-phenylphosphane
CID 145412543
ethane;triphenylphosphane
CID 90942156
butyl-phenoxy-phenylphosphane
CID 90719182
borane;methyl(diphenyl)phosphane
CID 13485169
diphenoxy(phenylselanyl)phosphane
CID 135023315

Frequently Asked Questions

What is the IUPAC name of ethane;methyl-phenoxy-phenylphosphane?
The IUPAC name of ethane;methyl-phenoxy-phenylphosphane (CID 162523152) is ethane;methyl-phenoxy-phenylphosphane.
What is the SMILES notation for ethane;methyl-phenoxy-phenylphosphane?
The canonical SMILES for ethane;methyl-phenoxy-phenylphosphane is CC.CP(Oc1ccccc1)c1ccccc1.
What is the InChIKey of ethane;methyl-phenoxy-phenylphosphane?
The InChIKey is QGUCJNFOXREWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13OP.C2H6/c1-15(13-10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-2/h2-11H,1H3;1-2H3.
What are the key properties of ethane;methyl-phenoxy-phenylphosphane?
ethane;methyl-phenoxy-phenylphosphane has a molecular weight of 246.29 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-phenoxy-phenylphosphane is sourced from PubChem (CID 162523152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).