1-phenoxydecan-2-yl dihydrogen phosphate

C16H27O5P — CID 122612592

IUPAC1-phenoxydecan-2-yl dihydrogen phosphate
SMILESCCCCCCCCC(COc1ccccc1)OP(=O)(O)O
InChIInChI=1S/C16H27O5P/c1-2-3-4-5-6-8-13-16(21-22(17,18)19)14-20-15-11-9-7-10-12-15/h7,9-12,16H,2-6,8,13-14H2,1H3,(H2,17,18,19)
InChIKeyJGSDYWOICWFKKT-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.29
Rot. Bonds12

About 1-phenoxydecan-2-yl dihydrogen phosphate

1-phenoxydecan-2-yl dihydrogen phosphate (PubChem CID 122612592) has the molecular formula C16H27O5P and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-phenoxydecan-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name1-phenoxydecan-2-yl dihydrogen phosphate
PubChem CID122612592
Molecular FormulaC16H27O5P
Molecular Weight330.36 g/mol
Exact Mass330.16
IUPAC Name1-phenoxydecan-2-yl dihydrogen phosphate
SMILESCCCCCCCCC(COc1ccccc1)OP(=O)(O)O
InChIInChI=1S/C16H27O5P/c1-2-3-4-5-6-8-13-16(21-22(17,18)19)14-20-15-11-9-7-10-12-15/h7,9-12,16H,2-6,8,13-14H2,1H3,(H2,17,18,19)
InChIKeyJGSDYWOICWFKKT-UHFFFAOYSA-N
XLogP4.29
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.29
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

1-(2-phenoxyethoxy)docosan-2-yl dihydrogen phosphate
CID 122612212
1-[2-(2-phenoxyethoxy)ethoxy]heptadecan-2-yl dihydrogen phosphate
CID 122612198
1-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]octadecan-2-yl dihydrogen phosphate
CID 122613122
1-[2-(2-phenoxyethoxy)ethoxy]icosan-2-yl dihydrogen phosphate
CID 122613231
bis(1-phenoxyundecan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 88718459
1,1-diphenyldecan-3-yl dihydrogen phosphate
CID 141070435
(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate
CID 21023120
pentadecan-6-yl dihydrogen phosphate
CID 22719349
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
1-phenoxytetradecan-2-ol
CID 11609222
2-[2-(2-phenoxyicosoxy)ethoxy]ethyl dihydrogen phosphate
CID 151774645
2-[2-(2-phenoxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 150437630

Frequently Asked Questions

What is the IUPAC name of 1-phenoxydecan-2-yl dihydrogen phosphate?
The IUPAC name of 1-phenoxydecan-2-yl dihydrogen phosphate (CID 122612592) is 1-phenoxydecan-2-yl dihydrogen phosphate.
What is the SMILES notation for 1-phenoxydecan-2-yl dihydrogen phosphate?
The canonical SMILES for 1-phenoxydecan-2-yl dihydrogen phosphate is CCCCCCCCC(COc1ccccc1)OP(=O)(O)O.
What is the InChIKey of 1-phenoxydecan-2-yl dihydrogen phosphate?
The InChIKey is JGSDYWOICWFKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O5P/c1-2-3-4-5-6-8-13-16(21-22(17,18)19)14-20-15-11-9-7-10-12-15/h7,9-12,16H,2-6,8,13-14H2,1H3,(H2,17,18,19).
What are the key properties of 1-phenoxydecan-2-yl dihydrogen phosphate?
1-phenoxydecan-2-yl dihydrogen phosphate has a molecular weight of 330.36 g/mol, XLogP of 4.29, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxydecan-2-yl dihydrogen phosphate is sourced from PubChem (CID 122612592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).