ethoxyethane;(2-octylphenyl) dihydrogen phosphate

C18H33O5P — CID 66830836

IUPACethoxyethane;(2-octylphenyl) dihydrogen phosphate
SMILESCCCCCCCCc1ccccc1OP(=O)(O)O.CCOCC
InChIInChI=1S/C14H23O4P.C4H10O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17;1-3-5-4-2/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17);3-4H2,1-2H3
InChIKeyOKDLBPDMZQQMKY-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.10
Rot. Bonds11

About ethoxyethane;(2-octylphenyl) dihydrogen phosphate

ethoxyethane;(2-octylphenyl) dihydrogen phosphate (PubChem CID 66830836) has the molecular formula C18H33O5P and a molecular weight of 360.43 g/mol. Its IUPAC name is ethoxyethane;(2-octylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Nameethoxyethane;(2-octylphenyl) dihydrogen phosphate
PubChem CID66830836
Molecular FormulaC18H33O5P
Molecular Weight360.43 g/mol
Exact Mass360.21
IUPAC Nameethoxyethane;(2-octylphenyl) dihydrogen phosphate
SMILESCCCCCCCCc1ccccc1OP(=O)(O)O.CCOCC
InChIInChI=1S/C14H23O4P.C4H10O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17;1-3-5-4-2/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17);3-4H2,1-2H3
InChIKeyOKDLBPDMZQQMKY-UHFFFAOYSA-N
XLogP5.10
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.10
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

(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
sodium;hydride;(2-octylphenyl) dihydrogen phosphate
CID 173327470
bis(2-hexylphenyl) hydrogen phosphate
CID 14671068
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
[2,3-bis(2-nonylphenyl)phenyl] dihydrogen phosphate
CID 18698880
dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
lithium (2-octylphenyl) phosphate
CID 21408120
bis(2-heptylphenyl) phosphate;zinc
CID 140565321
[2-(2-pentylnonyl)phenyl] dihydrogen phosphate
CID 150964075
1-(2-icosylphenoxy)ethyl dihydrogen phosphate
CID 122612545
ethoxyethane;2-octylphenol
CID 66605620

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;(2-octylphenyl) dihydrogen phosphate?
The IUPAC name of ethoxyethane;(2-octylphenyl) dihydrogen phosphate (CID 66830836) is ethoxyethane;(2-octylphenyl) dihydrogen phosphate.
What is the SMILES notation for ethoxyethane;(2-octylphenyl) dihydrogen phosphate?
The canonical SMILES for ethoxyethane;(2-octylphenyl) dihydrogen phosphate is CCCCCCCCc1ccccc1OP(=O)(O)O.CCOCC.
What is the InChIKey of ethoxyethane;(2-octylphenyl) dihydrogen phosphate?
The InChIKey is OKDLBPDMZQQMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P.C4H10O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17;1-3-5-4-2/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17);3-4H2,1-2H3.
What are the key properties of ethoxyethane;(2-octylphenyl) dihydrogen phosphate?
ethoxyethane;(2-octylphenyl) dihydrogen phosphate has a molecular weight of 360.43 g/mol, XLogP of 5.10, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;(2-octylphenyl) dihydrogen phosphate is sourced from PubChem (CID 66830836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).