alumane;tris(4-methylphenyl) phosphate

C21H24AlO4P — CID 174515145

IUPACalumane;tris(4-methylphenyl) phosphate
SMILESCc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[AlH3]
InChIInChI=1S/C21H21O4P.Al.3H/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;;;/h4-15H,1-3H3;;;;
InChIKeyZBSPJJZDBKRBDX-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.07
Rot. Bonds6

About alumane;tris(4-methylphenyl) phosphate

alumane;tris(4-methylphenyl) phosphate (PubChem CID 174515145) has the molecular formula C21H24AlO4P and a molecular weight of 398.38 g/mol. Its IUPAC name is alumane;tris(4-methylphenyl) phosphate.

Molecular Properties

Compound Namealumane;tris(4-methylphenyl) phosphate
PubChem CID174515145
Molecular FormulaC21H24AlO4P
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Namealumane;tris(4-methylphenyl) phosphate
SMILESCc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[AlH3]
InChIInChI=1S/C21H21O4P.Al.3H/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;;;/h4-15H,1-3H3;;;;
InChIKeyZBSPJJZDBKRBDX-UHFFFAOYSA-N
XLogP5.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 67928069
CID 67928069
potassium;tris(4-methylphenyl) phosphate;hydroxide
CID 174496858
magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433
bromosilver;tris(4-methylphenyl) phosphate
CID 160750734
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
prop-1-ene;tris(4-methylphenyl) phosphate
CID 174447332
isocyanic acid;tris(4-methylphenyl) phosphate
CID 174832408
guanidine;tris(4-methylphenyl) phosphate
CID 174666198
anthracene-9,10-dione;tris(4-methylphenyl) phosphate
CID 175314566
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
[2-[2-bis(4-methylphenoxy)phosphoryloxyphenyl]phenyl] bis(4-methylphenyl) phosphate
CID 91534838

Frequently Asked Questions

What is the IUPAC name of alumane;tris(4-methylphenyl) phosphate?
The IUPAC name of alumane;tris(4-methylphenyl) phosphate (CID 174515145) is alumane;tris(4-methylphenyl) phosphate.
What is the SMILES notation for alumane;tris(4-methylphenyl) phosphate?
The canonical SMILES for alumane;tris(4-methylphenyl) phosphate is Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[AlH3].
What is the InChIKey of alumane;tris(4-methylphenyl) phosphate?
The InChIKey is ZBSPJJZDBKRBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O4P.Al.3H/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;;;/h4-15H,1-3H3;;;;.
What are the key properties of alumane;tris(4-methylphenyl) phosphate?
alumane;tris(4-methylphenyl) phosphate has a molecular weight of 398.38 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;tris(4-methylphenyl) phosphate is sourced from PubChem (CID 174515145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).