alumane;phenyl tetradecyl hydrogen phosphate

C20H38AlO4P — CID 173415537

IUPACalumane;phenyl tetradecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(O)Oc1ccccc1.[AlH3]
InChIInChI=1S/C20H35O4P.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-25(21,22)24-20-17-14-13-15-18-20;;;;/h13-15,17-18H,2-12,16,19H2,1H3,(H,21,22);;;;
InChIKeyQLZFJSROOBDSIF-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.70
Rot. Bonds16

About alumane;phenyl tetradecyl hydrogen phosphate

alumane;phenyl tetradecyl hydrogen phosphate (PubChem CID 173415537) has the molecular formula C20H38AlO4P and a molecular weight of 400.48 g/mol. Its IUPAC name is alumane;phenyl tetradecyl hydrogen phosphate.

Molecular Properties

Compound Namealumane;phenyl tetradecyl hydrogen phosphate
PubChem CID173415537
Molecular FormulaC20H38AlO4P
Molecular Weight400.48 g/mol
Exact Mass400.23
IUPAC Namealumane;phenyl tetradecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(O)Oc1ccccc1.[AlH3]
InChIInChI=1S/C20H35O4P.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-25(21,22)24-20-17-14-13-15-18-20;;;;/h13-15,17-18H,2-12,16,19H2,1H3,(H,21,22);;;;
InChIKeyQLZFJSROOBDSIF-UHFFFAOYSA-N
XLogP5.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.70
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 alumane;phenyl tetradecyl hydrogen phosphate 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

hexyl phenyl hydrogen phosphate
CID 66863526
4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823
hexyl diphenyl phosphate
CID 13389453
heptyl pentyl phenyl phosphate
CID 21454681
hexyl (2-hydroxyphenyl) hydrogen phosphate
CID 10978666
sodium [4-[(Z)-2-[4-[hexadecoxy(hydroxy)phosphoryl]oxyphenyl]ethenyl]phenyl] hexadecyl hydrogen phosphate
CID 54607997
octadecyl phenyl phosphono phosphate
CID 174802974
4,4-dihydroxybutyl phenyl hydrogen phosphate
CID 175686334
benzyl(octoxy)phosphinic acid
CID 57273466
azane;benzyl hexadecyl hydrogen phosphate
CID 174524131
[chloromethyl(nonoxy)phosphoryl]oxybenzene
CID 163168049
[hydroxy(phenoxy)phosphoryl] octadecanoate
CID 174873653

Frequently Asked Questions

What is the IUPAC name of alumane;phenyl tetradecyl hydrogen phosphate?
The IUPAC name of alumane;phenyl tetradecyl hydrogen phosphate (CID 173415537) is alumane;phenyl tetradecyl hydrogen phosphate.
What is the SMILES notation for alumane;phenyl tetradecyl hydrogen phosphate?
The canonical SMILES for alumane;phenyl tetradecyl hydrogen phosphate is CCCCCCCCCCCCCCOP(=O)(O)Oc1ccccc1.[AlH3].
What is the InChIKey of alumane;phenyl tetradecyl hydrogen phosphate?
The InChIKey is QLZFJSROOBDSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35O4P.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-25(21,22)24-20-17-14-13-15-18-20;;;;/h13-15,17-18H,2-12,16,19H2,1H3,(H,21,22);;;;.
What are the key properties of alumane;phenyl tetradecyl hydrogen phosphate?
alumane;phenyl tetradecyl hydrogen phosphate has a molecular weight of 400.48 g/mol, XLogP of 5.70, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;phenyl tetradecyl hydrogen phosphate is sourced from PubChem (CID 173415537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).