4-(6-diethoxyphosphorylhexoxy)phenol

C16H27O5P — CID 5271417

IUPAC4-(6-diethoxyphosphorylhexoxy)phenol
SMILESCCOP(=O)(CCCCCCOc1ccc(O)cc1)OCC
InChIInChI=1S/C16H27O5P/c1-3-20-22(18,21-4-2)14-8-6-5-7-13-19-16-11-9-15(17)10-12-16/h9-12,17H,3-8,13-14H2,1-2H3
InChIKeyGOVRUDUDKKLLTQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.60
Rot. Bonds12

About 4-(6-diethoxyphosphorylhexoxy)phenol

4-(6-diethoxyphosphorylhexoxy)phenol (PubChem CID 5271417) has the molecular formula C16H27O5P and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-(6-diethoxyphosphorylhexoxy)phenol.

Molecular Properties

Compound Name4-(6-diethoxyphosphorylhexoxy)phenol
PubChem CID5271417
Molecular FormulaC16H27O5P
Molecular Weight330.36 g/mol
Exact Mass330.16
IUPAC Name4-(6-diethoxyphosphorylhexoxy)phenol
SMILESCCOP(=O)(CCCCCCOc1ccc(O)cc1)OCC
InChIInChI=1S/C16H27O5P/c1-3-20-22(18,21-4-2)14-8-6-5-7-13-19-16-11-9-15(17)10-12-16/h9-12,17H,3-8,13-14H2,1-2H3
InChIKeyGOVRUDUDKKLLTQ-UHFFFAOYSA-N
XLogP4.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(6-diethoxyphosphorylhexoxy)phenyl] acetate
CID 5271416
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-octadecoxyphenol
CID 22179059
2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine
CID 86678288
4-[4-[7-[4-(4-ethoxyphenyl)sulfonylphenoxy]heptoxy]phenyl]sulfonylphenol
CID 139963527
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
8-diethoxyphosphoryloctan-1-ol
CID 10515886
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
ethyl bis(4-hydroxyphenyl) phosphate
CID 137357860
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211

Frequently Asked Questions

What is the IUPAC name of 4-(6-diethoxyphosphorylhexoxy)phenol?
The IUPAC name of 4-(6-diethoxyphosphorylhexoxy)phenol (CID 5271417) is 4-(6-diethoxyphosphorylhexoxy)phenol.
What is the SMILES notation for 4-(6-diethoxyphosphorylhexoxy)phenol?
The canonical SMILES for 4-(6-diethoxyphosphorylhexoxy)phenol is CCOP(=O)(CCCCCCOc1ccc(O)cc1)OCC.
What is the InChIKey of 4-(6-diethoxyphosphorylhexoxy)phenol?
The InChIKey is GOVRUDUDKKLLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O5P/c1-3-20-22(18,21-4-2)14-8-6-5-7-13-19-16-11-9-15(17)10-12-16/h9-12,17H,3-8,13-14H2,1-2H3.
What are the key properties of 4-(6-diethoxyphosphorylhexoxy)phenol?
4-(6-diethoxyphosphorylhexoxy)phenol has a molecular weight of 330.36 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-diethoxyphosphorylhexoxy)phenol is sourced from PubChem (CID 5271417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).