(2-hydroxy-6-nonylphenyl)phosphonic acid

C15H25O4P — CID 68580026

IUPAC(2-hydroxy-6-nonylphenyl)phosphonic acid
SMILESCCCCCCCCCc1cccc(O)c1P(=O)(O)O
InChIInChI=1S/C15H25O4P/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(16)15(13)20(17,18)19/h9,11-12,16H,2-8,10H2,1H3,(H2,17,18,19)
InChIKeyONFHTMAAKGKKKV-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.49
Rot. Bonds9

About (2-hydroxy-6-nonylphenyl)phosphonic acid

(2-hydroxy-6-nonylphenyl)phosphonic acid (PubChem CID 68580026) has the molecular formula C15H25O4P and a molecular weight of 300.33 g/mol. Its IUPAC name is (2-hydroxy-6-nonylphenyl)phosphonic acid.

Molecular Properties

Compound Name(2-hydroxy-6-nonylphenyl)phosphonic acid
PubChem CID68580026
Molecular FormulaC15H25O4P
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Name(2-hydroxy-6-nonylphenyl)phosphonic acid
SMILESCCCCCCCCCc1cccc(O)c1P(=O)(O)O
InChIInChI=1S/C15H25O4P/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(16)15(13)20(17,18)19/h9,11-12,16H,2-8,10H2,1H3,(H2,17,18,19)
InChIKeyONFHTMAAKGKKKV-UHFFFAOYSA-N
XLogP3.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.49
H-Bond Donors ≤ 53
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-dodecylphenol;phosphoric acid
CID 67396083
(2-heptadecylphenyl)phosphonic acid
CID 23434842
2-bromo-3-hexadecylphenol
CID 141212813
2-dodecylphenol
CID 160834917
formaldehyde;2-octadecylphenol
CID 67830879
2,3-di(nonadecyl)phenol
CID 151687635
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6-nonylphenyl)phosphonic acid?
The IUPAC name of (2-hydroxy-6-nonylphenyl)phosphonic acid (CID 68580026) is (2-hydroxy-6-nonylphenyl)phosphonic acid.
What is the SMILES notation for (2-hydroxy-6-nonylphenyl)phosphonic acid?
The canonical SMILES for (2-hydroxy-6-nonylphenyl)phosphonic acid is CCCCCCCCCc1cccc(O)c1P(=O)(O)O.
What is the InChIKey of (2-hydroxy-6-nonylphenyl)phosphonic acid?
The InChIKey is ONFHTMAAKGKKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O4P/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(16)15(13)20(17,18)19/h9,11-12,16H,2-8,10H2,1H3,(H2,17,18,19).
What are the key properties of (2-hydroxy-6-nonylphenyl)phosphonic acid?
(2-hydroxy-6-nonylphenyl)phosphonic acid has a molecular weight of 300.33 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6-nonylphenyl)phosphonic acid is sourced from PubChem (CID 68580026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).