bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane

C16H17Cl4O5P — CID 67683107

IUPACbis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane
SMILESOP(O)(O)(CCOc1ccc(Cl)cc1Cl)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl4O5P/c17-11-1-3-15(13(19)9-11)24-5-7-26(21,22,23)8-6-25-16-4-2-12(18)10-14(16)20/h1-4,9-10,21-23H,5-8H2
InChIKeyPROGNXIKTNBFMY-UHFFFAOYSA-N
MW462.09 g/mol
LogP5.03
Rot. Bonds8

About bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane

bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane (PubChem CID 67683107) has the molecular formula C16H17Cl4O5P and a molecular weight of 462.09 g/mol. Its IUPAC name is bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane.

Molecular Properties

Compound Namebis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane
PubChem CID67683107
Molecular FormulaC16H17Cl4O5P
Molecular Weight462.09 g/mol
Exact Mass459.96
IUPAC Namebis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane
SMILESOP(O)(O)(CCOc1ccc(Cl)cc1Cl)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl4O5P/c17-11-1-3-15(13(19)9-11)24-5-7-26(21,22,23)8-6-25-16-4-2-12(18)10-14(16)20/h1-4,9-10,21-23H,5-8H2
InChIKeyPROGNXIKTNBFMY-UHFFFAOYSA-N
XLogP5.03
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.09
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
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CID 5262075
1-[2-(2,4-dichlorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446277
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
1-[6-(2,4-dichlorophenoxy)hexyl]piperidin-1-ium
CID 2247168
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
CID 22682686
2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol
CID 172641394
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473

Frequently Asked Questions

What is the IUPAC name of bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane?
The IUPAC name of bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane (CID 67683107) is bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane.
What is the SMILES notation for bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane?
The canonical SMILES for bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane is OP(O)(O)(CCOc1ccc(Cl)cc1Cl)CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane?
The InChIKey is PROGNXIKTNBFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl4O5P/c17-11-1-3-15(13(19)9-11)24-5-7-26(21,22,23)8-6-25-16-4-2-12(18)10-14(16)20/h1-4,9-10,21-23H,5-8H2.
What are the key properties of bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane?
bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane has a molecular weight of 462.09 g/mol, XLogP of 5.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane is sourced from PubChem (CID 67683107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).