(2-nonylphenyl) dihydrogen phosphate

C15H25O4P — CID 14048761

IUPAC(2-nonylphenyl) dihydrogen phosphate
SMILESCCCCCCCCCc1ccccc1OP(=O)(O)O
InChIInChI=1S/C15H25O4P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-20(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H2,16,17,18)
InChIKeyUUIPAJHTKDSSOK-UHFFFAOYSA-N
MW300.33 g/mol
LogP4.45
Rot. Bonds10

About (2-nonylphenyl) dihydrogen phosphate

(2-nonylphenyl) dihydrogen phosphate (PubChem CID 14048761) has the molecular formula C15H25O4P and a molecular weight of 300.33 g/mol. Its IUPAC name is (2-nonylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-nonylphenyl) dihydrogen phosphate
PubChem CID14048761
Molecular FormulaC15H25O4P
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Name(2-nonylphenyl) dihydrogen phosphate
SMILESCCCCCCCCCc1ccccc1OP(=O)(O)O
InChIInChI=1S/C15H25O4P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-20(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H2,16,17,18)
InChIKeyUUIPAJHTKDSSOK-UHFFFAOYSA-N
XLogP4.45
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
sodium;hydride;(2-octylphenyl) dihydrogen phosphate
CID 173327470
ethoxyethane;(2-octylphenyl) dihydrogen phosphate
CID 66830836
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
lithium (2-octylphenyl) phosphate
CID 21408120
bis(2-heptylphenyl) phosphate;zinc
CID 140565321
dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
[2-(2-pentylnonyl)phenyl] dihydrogen phosphate
CID 150964075
1-(2-icosylphenoxy)ethyl dihydrogen phosphate
CID 122612545
(2-tetradecoxyphenyl) dihydrogen phosphate
CID 23178967

Frequently Asked Questions

What is the IUPAC name of (2-nonylphenyl) dihydrogen phosphate?
The IUPAC name of (2-nonylphenyl) dihydrogen phosphate (CID 14048761) is (2-nonylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-nonylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-nonylphenyl) dihydrogen phosphate is CCCCCCCCCc1ccccc1OP(=O)(O)O.
What is the InChIKey of (2-nonylphenyl) dihydrogen phosphate?
The InChIKey is UUIPAJHTKDSSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O4P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-20(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H2,16,17,18).
What are the key properties of (2-nonylphenyl) dihydrogen phosphate?
(2-nonylphenyl) dihydrogen phosphate has a molecular weight of 300.33 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nonylphenyl) dihydrogen phosphate is sourced from PubChem (CID 14048761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).