ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane

C20H29O3P — CID 57167786

IUPACethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane
SMILESCCCCCCOP(O)(OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H29O3P/c1-3-5-6-13-18-23-24(21,22-4-2,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17,21H,3-6,13,18H2,1-2H3
InChIKeyKABQMWRJIXINJH-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.56
Rot. Bonds10

About ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane

ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane (PubChem CID 57167786) has the molecular formula C20H29O3P and a molecular weight of 348.42 g/mol. Its IUPAC name is ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane
PubChem CID57167786
Molecular FormulaC20H29O3P
Molecular Weight348.42 g/mol
Exact Mass348.19
IUPAC Nameethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane
SMILESCCCCCCOP(O)(OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H29O3P/c1-3-5-6-13-18-23-24(21,22-4-2,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17,21H,3-6,13,18H2,1-2H3
InChIKeyKABQMWRJIXINJH-UHFFFAOYSA-N
XLogP4.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
pentoxybenzene;undecane
CID 174778179
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
fluorobenzene;1-hexoxyhexane
CID 174664464
2-tridecoxyphenol
CID 67178320
ethoxy-hexoxy-phenylphosphane
CID 154163043
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
4-octadecoxybutylbenzene
CID 70977182
1-Diphenylsilyloxypentadecane
CID 6329518
dihexadecoxy(phenyl)silane
CID 173048581
hexatriacontoxymethoxybenzene
CID 21131247

Frequently Asked Questions

What is the IUPAC name of ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane?
The IUPAC name of ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane (CID 57167786) is ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane.
What is the SMILES notation for ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane?
The canonical SMILES for ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane is CCCCCCOP(O)(OCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane?
The InChIKey is KABQMWRJIXINJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29O3P/c1-3-5-6-13-18-23-24(21,22-4-2,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17,21H,3-6,13,18H2,1-2H3.
What are the key properties of ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane?
ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane has a molecular weight of 348.42 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane is sourced from PubChem (CID 57167786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).