dodecyl-trihydroxy-phenyl-λ5-phosphane

C18H33O3P — CID 57297233

IUPACdodecyl-trihydroxy-phenyl-λ5-phosphane
SMILESCCCCCCCCCCCCP(O)(O)(O)c1ccccc1
InChIInChI=1S/C18H33O3P/c1-2-3-4-5-6-7-8-9-10-14-17-22(19,20,21)18-15-12-11-13-16-18/h11-13,15-16,19-21H,2-10,14,17H2,1H3
InChIKeyGHXUHMUAPAWZSP-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.51
Rot. Bonds12

About dodecyl-trihydroxy-phenyl-λ5-phosphane

dodecyl-trihydroxy-phenyl-λ5-phosphane (PubChem CID 57297233) has the molecular formula C18H33O3P and a molecular weight of 328.43 g/mol. Its IUPAC name is dodecyl-trihydroxy-phenyl-λ5-phosphane.

Molecular Properties

Compound Namedodecyl-trihydroxy-phenyl-λ5-phosphane
PubChem CID57297233
Molecular FormulaC18H33O3P
Molecular Weight328.43 g/mol
Exact Mass328.22
IUPAC Namedodecyl-trihydroxy-phenyl-λ5-phosphane
SMILESCCCCCCCCCCCCP(O)(O)(O)c1ccccc1
InChIInChI=1S/C18H33O3P/c1-2-3-4-5-6-7-8-9-10-14-17-22(19,20,21)18-15-12-11-13-16-18/h11-13,15-16,19-21H,2-10,14,17H2,1H3
InChIKeyGHXUHMUAPAWZSP-UHFFFAOYSA-N
XLogP4.51
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.51
H-Bond Donors ≤ 53
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

trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882
dihydroxy-phenoxy-di(tetradecyl)-λ5-phosphane
CID 175519333
methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
CID 174530893
dodecane;phenol
CID 157210063
ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane
CID 57167786

Frequently Asked Questions

What is the IUPAC name of dodecyl-trihydroxy-phenyl-λ5-phosphane?
The IUPAC name of dodecyl-trihydroxy-phenyl-λ5-phosphane (CID 57297233) is dodecyl-trihydroxy-phenyl-λ5-phosphane.
What is the SMILES notation for dodecyl-trihydroxy-phenyl-λ5-phosphane?
The canonical SMILES for dodecyl-trihydroxy-phenyl-λ5-phosphane is CCCCCCCCCCCCP(O)(O)(O)c1ccccc1.
What is the InChIKey of dodecyl-trihydroxy-phenyl-λ5-phosphane?
The InChIKey is GHXUHMUAPAWZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O3P/c1-2-3-4-5-6-7-8-9-10-14-17-22(19,20,21)18-15-12-11-13-16-18/h11-13,15-16,19-21H,2-10,14,17H2,1H3.
What are the key properties of dodecyl-trihydroxy-phenyl-λ5-phosphane?
dodecyl-trihydroxy-phenyl-λ5-phosphane has a molecular weight of 328.43 g/mol, XLogP of 4.51, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-trihydroxy-phenyl-λ5-phosphane is sourced from PubChem (CID 57297233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).