(2-nonadecylphenyl) dihydrogen phosphate

C25H45O4P — CID 122612109

IUPAC(2-nonadecylphenyl) dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCCc1ccccc1OP(=O)(O)O
InChIInChI=1S/C25H45O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-22-19-20-23-25(24)29-30(26,27)28/h19-20,22-23H,2-18,21H2,1H3,(H2,26,27,28)
InChIKeyJMRLBPSIBPHMID-UHFFFAOYSA-N
MW440.61 g/mol
LogP8.35
Rot. Bonds20

About (2-nonadecylphenyl) dihydrogen phosphate

(2-nonadecylphenyl) dihydrogen phosphate (PubChem CID 122612109) has the molecular formula C25H45O4P and a molecular weight of 440.61 g/mol. Its IUPAC name is (2-nonadecylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-nonadecylphenyl) dihydrogen phosphate
PubChem CID122612109
Molecular FormulaC25H45O4P
Molecular Weight440.61 g/mol
Exact Mass440.31
IUPAC Name(2-nonadecylphenyl) dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCCc1ccccc1OP(=O)(O)O
InChIInChI=1S/C25H45O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-22-19-20-23-25(24)29-30(26,27)28/h19-20,22-23H,2-18,21H2,1H3,(H2,26,27,28)
InChIKeyJMRLBPSIBPHMID-UHFFFAOYSA-N
XLogP8.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 58.35
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-nonylphenyl) dihydrogen phosphate
CID 14048761
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-nonadecylphenyl) dihydrogen phosphate?
The IUPAC name of (2-nonadecylphenyl) dihydrogen phosphate (CID 122612109) is (2-nonadecylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-nonadecylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-nonadecylphenyl) dihydrogen phosphate is CCCCCCCCCCCCCCCCCCCc1ccccc1OP(=O)(O)O.
What is the InChIKey of (2-nonadecylphenyl) dihydrogen phosphate?
The InChIKey is JMRLBPSIBPHMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-22-19-20-23-25(24)29-30(26,27)28/h19-20,22-23H,2-18,21H2,1H3,(H2,26,27,28).
What are the key properties of (2-nonadecylphenyl) dihydrogen phosphate?
(2-nonadecylphenyl) dihydrogen phosphate has a molecular weight of 440.61 g/mol, XLogP of 8.35, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nonadecylphenyl) dihydrogen phosphate is sourced from PubChem (CID 122612109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).