dihydroxy-octoxy-octyl-phenyl-λ5-phosphane

C22H41O3P — CID 141124882

IUPACdihydroxy-octoxy-octyl-phenyl-λ5-phosphane
SMILESCCCCCCCCOP(O)(O)(CCCCCCCC)c1ccccc1
InChIInChI=1S/C22H41O3P/c1-3-5-7-9-11-16-20-25-26(23,24,22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19,23-24H,3-12,16-17,20-21H2,1-2H3
InChIKeyOFDLYESDHSCBKU-UHFFFAOYSA-N
MW384.54 g/mol
LogP6.33
Rot. Bonds16

About dihydroxy-octoxy-octyl-phenyl-λ5-phosphane

dihydroxy-octoxy-octyl-phenyl-λ5-phosphane (PubChem CID 141124882) has the molecular formula C22H41O3P and a molecular weight of 384.54 g/mol. Its IUPAC name is dihydroxy-octoxy-octyl-phenyl-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-octoxy-octyl-phenyl-λ5-phosphane
PubChem CID141124882
Molecular FormulaC22H41O3P
Molecular Weight384.54 g/mol
Exact Mass384.28
IUPAC Namedihydroxy-octoxy-octyl-phenyl-λ5-phosphane
SMILESCCCCCCCCOP(O)(O)(CCCCCCCC)c1ccccc1
InChIInChI=1S/C22H41O3P/c1-3-5-7-9-11-16-20-25-26(23,24,22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19,23-24H,3-12,16-17,20-21H2,1-2H3
InChIKeyOFDLYESDHSCBKU-UHFFFAOYSA-N
XLogP6.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane
CID 57167786
tridodecoxy-dodecyl-[4-(2-phenylpropan-2-yl)phenyl]-lambda5-phosphane
CID 19601311
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903
dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane
CID 175519333
1-pentoxy-4-(2-phenylethynyl)benzene
CID 139636214

Frequently Asked Questions

What is the IUPAC name of dihydroxy-octoxy-octyl-phenyl-λ5-phosphane?
The IUPAC name of dihydroxy-octoxy-octyl-phenyl-λ5-phosphane (CID 141124882) is dihydroxy-octoxy-octyl-phenyl-λ5-phosphane.
What is the SMILES notation for dihydroxy-octoxy-octyl-phenyl-λ5-phosphane?
The canonical SMILES for dihydroxy-octoxy-octyl-phenyl-λ5-phosphane is CCCCCCCCOP(O)(O)(CCCCCCCC)c1ccccc1.
What is the InChIKey of dihydroxy-octoxy-octyl-phenyl-λ5-phosphane?
The InChIKey is OFDLYESDHSCBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41O3P/c1-3-5-7-9-11-16-20-25-26(23,24,22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19,23-24H,3-12,16-17,20-21H2,1-2H3.
What are the key properties of dihydroxy-octoxy-octyl-phenyl-λ5-phosphane?
dihydroxy-octoxy-octyl-phenyl-λ5-phosphane has a molecular weight of 384.54 g/mol, XLogP of 6.33, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-octoxy-octyl-phenyl-λ5-phosphane is sourced from PubChem (CID 141124882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).