(4-chlorophenyl)-ethoxy-phenoxyphosphane

C14H14ClO2P — CID 18983521

IUPAC(4-chlorophenyl)-ethoxy-phenoxyphosphane
SMILESCCOP(Oc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClO2P/c1-2-16-18(14-10-8-12(15)9-11-14)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyYYBMLHHYZRLWPP-UHFFFAOYSA-N
MW280.69 g/mol
LogP4.39
Rot. Bonds5

About (4-chlorophenyl)-ethoxy-phenoxyphosphane

(4-chlorophenyl)-ethoxy-phenoxyphosphane (PubChem CID 18983521) has the molecular formula C14H14ClO2P and a molecular weight of 280.69 g/mol. Its IUPAC name is (4-chlorophenyl)-ethoxy-phenoxyphosphane.

Molecular Properties

Compound Name(4-chlorophenyl)-ethoxy-phenoxyphosphane
PubChem CID18983521
Molecular FormulaC14H14ClO2P
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name(4-chlorophenyl)-ethoxy-phenoxyphosphane
SMILESCCOP(Oc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClO2P/c1-2-16-18(14-10-8-12(15)9-11-14)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyYYBMLHHYZRLWPP-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 54.39
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 (4-chlorophenyl)-ethoxy-phenoxyphosphane?
The IUPAC name of (4-chlorophenyl)-ethoxy-phenoxyphosphane (CID 18983521) is (4-chlorophenyl)-ethoxy-phenoxyphosphane.
What is the SMILES notation for (4-chlorophenyl)-ethoxy-phenoxyphosphane?
The canonical SMILES for (4-chlorophenyl)-ethoxy-phenoxyphosphane is CCOP(Oc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-ethoxy-phenoxyphosphane?
The InChIKey is YYBMLHHYZRLWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClO2P/c1-2-16-18(14-10-8-12(15)9-11-14)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of (4-chlorophenyl)-ethoxy-phenoxyphosphane?
(4-chlorophenyl)-ethoxy-phenoxyphosphane has a molecular weight of 280.69 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-ethoxy-phenoxyphosphane is sourced from PubChem (CID 18983521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).