bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane

C23H25O2P — CID 87668436

IUPACbis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane
SMILESC=P(Oc1ccccc1CC)(Oc1ccccc1CC)c1ccccc1
InChIInChI=1S/C23H25O2P/c1-4-19-13-9-11-17-22(19)24-26(3,21-15-7-6-8-16-21)25-23-18-12-10-14-20(23)5-2/h6-18H,3-5H2,1-2H3
InChIKeySMADHKZHUODWEW-UHFFFAOYSA-N
MW364.43 g/mol
LogP5.87
Rot. Bonds7

About bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane

bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane (PubChem CID 87668436) has the molecular formula C23H25O2P and a molecular weight of 364.43 g/mol. Its IUPAC name is bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane.

Molecular Properties

Compound Namebis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane
PubChem CID87668436
Molecular FormulaC23H25O2P
Molecular Weight364.43 g/mol
Exact Mass364.16
IUPAC Namebis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane
SMILESC=P(Oc1ccccc1CC)(Oc1ccccc1CC)c1ccccc1
InChIInChI=1S/C23H25O2P/c1-4-19-13-9-11-17-22(19)24-26(3,21-15-7-6-8-16-21)25-23-18-12-10-14-20(23)5-2/h6-18H,3-5H2,1-2H3
InChIKeySMADHKZHUODWEW-UHFFFAOYSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane?
The IUPAC name of bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane (CID 87668436) is bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane.
What is the SMILES notation for bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane?
The canonical SMILES for bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane is C=P(Oc1ccccc1CC)(Oc1ccccc1CC)c1ccccc1.
What is the InChIKey of bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane?
The InChIKey is SMADHKZHUODWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O2P/c1-4-19-13-9-11-17-22(19)24-26(3,21-15-7-6-8-16-21)25-23-18-12-10-14-20(23)5-2/h6-18H,3-5H2,1-2H3.
What are the key properties of bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane?
bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane has a molecular weight of 364.43 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane is sourced from PubChem (CID 87668436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).