dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane

C34H65O3P — CID 175519333

IUPACdihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane
SMILESCCCCCCCCCCCCCCP(O)(O)(CCCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C34H65O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-38(35,36,37-34-30-26-25-27-31-34)33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31,35-36H,3-24,28-29,32-33H2,1-2H3
InChIKeyYGARXAXBPLZVSO-UHFFFAOYSA-N
MW552.87 g/mol
LogP11.75
Rot. Bonds28

About dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane

dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane (PubChem CID 175519333) has the molecular formula C34H65O3P and a molecular weight of 552.87 g/mol. Its IUPAC name is dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane
PubChem CID175519333
Molecular FormulaC34H65O3P
Molecular Weight552.87 g/mol
Exact Mass552.47
IUPAC Namedihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane
SMILESCCCCCCCCCCCCCCP(O)(O)(CCCCCCCCCCCCCC)Oc1ccccc1
InChIInChI=1S/C34H65O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-38(35,36,37-34-30-26-25-27-31-34)33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31,35-36H,3-24,28-29,32-33H2,1-2H3
InChIKeyYGARXAXBPLZVSO-UHFFFAOYSA-N
XLogP11.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.87
LogP ≤ 511.75
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

dibutyl-dihydroxy-phenoxy-λ5-phosphane
CID 141047661
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
bis(decane);phenoxyphosphane
CID 91140487
pentoxybenzene;undecane
CID 174778179
dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
tetracosan-8-yloxybenzene
CID 154135377
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
dodecane;phenol
CID 157210063
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
phenyl tridecanoate
CID 54389784
1-phenoxyhexadecan-1-ol
CID 140512988

Frequently Asked Questions

What is the IUPAC name of dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane?
The IUPAC name of dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane (CID 175519333) is dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane.
What is the SMILES notation for dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane?
The canonical SMILES for dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane is CCCCCCCCCCCCCCP(O)(O)(CCCCCCCCCCCCCC)Oc1ccccc1.
What is the InChIKey of dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane?
The InChIKey is YGARXAXBPLZVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H65O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-38(35,36,37-34-30-26-25-27-31-34)33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31,35-36H,3-24,28-29,32-33H2,1-2H3.
What are the key properties of dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane?
dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane has a molecular weight of 552.87 g/mol, XLogP of 11.75, 28 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane is sourced from PubChem (CID 175519333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).