2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate

C15H25O5P — CID 59167306

IUPAC2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate
SMILESCC(C)CC(C)(C)c1ccc(OCCOP(=O)(O)O)cc1
InChIInChI=1S/C15H25O5P/c1-12(2)11-15(3,4)13-5-7-14(8-6-13)19-9-10-20-21(16,17)18/h5-8,12H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyTZXPCJOGDZFVIL-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.50
Rot. Bonds8

About 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate

2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate (PubChem CID 59167306) has the molecular formula C15H25O5P and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate
PubChem CID59167306
Molecular FormulaC15H25O5P
Molecular Weight316.33 g/mol
Exact Mass316.14
IUPAC Name2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate
SMILESCC(C)CC(C)(C)c1ccc(OCCOP(=O)(O)O)cc1
InChIInChI=1S/C15H25O5P/c1-12(2)11-15(3,4)13-5-7-14(8-6-13)19-9-10-20-21(16,17)18/h5-8,12H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyTZXPCJOGDZFVIL-UHFFFAOYSA-N
XLogP3.50
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.50
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

cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 160847219
4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzonitrile
CID 20986224
2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040659
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide
CID 163343246
2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 71322665
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133
2-[2-[2-[hydroxy-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phosphoryl]oxyethoxy]ethoxy]ethyl [4-(2,4,4-trimethylpentan-2-yl)phenyl] hydrogen phosphate
CID 101208825
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]propanoate
CID 22761104
2-methyl-3-(4-propoxyphenyl)pentan-3-ol
CID 62796253
(2R)-2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 70114787

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate?
The IUPAC name of 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate (CID 59167306) is 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate is CC(C)CC(C)(C)c1ccc(OCCOP(=O)(O)O)cc1.
What is the InChIKey of 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate?
The InChIKey is TZXPCJOGDZFVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O5P/c1-12(2)11-15(3,4)13-5-7-14(8-6-13)19-9-10-20-21(16,17)18/h5-8,12H,9-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate?
2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate has a molecular weight of 316.33 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylpentan-2-yl)phenoxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 59167306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).