[2,3-di(nonyl)phenyl]phosphonous acid

C24H43O2P — CID 19736789

IUPAC[2,3-di(nonyl)phenyl]phosphonous acid
SMILESCCCCCCCCCc1cccc(P(O)O)c1CCCCCCCCC
InChIInChI=1S/C24H43O2P/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(27(25)26)23(22)20-16-14-12-10-8-6-4-2/h17,19,21,25-26H,3-16,18,20H2,1-2H3
InChIKeyYTCJVTWDPZDVDI-UHFFFAOYSA-N
MW394.58 g/mol
LogP7.19
Rot. Bonds17

About [2,3-di(nonyl)phenyl]phosphonous acid

[2,3-di(nonyl)phenyl]phosphonous acid (PubChem CID 19736789) has the molecular formula C24H43O2P and a molecular weight of 394.58 g/mol. Its IUPAC name is [2,3-di(nonyl)phenyl]phosphonous acid.

Molecular Properties

Compound Name[2,3-di(nonyl)phenyl]phosphonous acid
PubChem CID19736789
Molecular FormulaC24H43O2P
Molecular Weight394.58 g/mol
Exact Mass394.30
IUPAC Name[2,3-di(nonyl)phenyl]phosphonous acid
SMILESCCCCCCCCCc1cccc(P(O)O)c1CCCCCCCCC
InChIInChI=1S/C24H43O2P/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(27(25)26)23(22)20-16-14-12-10-8-6-4-2/h17,19,21,25-26H,3-16,18,20H2,1-2H3
InChIKeyYTCJVTWDPZDVDI-UHFFFAOYSA-N
XLogP7.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 57.19
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

1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565
1,2-dibutyl-3-dodecylbenzene
CID 91050964
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
2,3-di(nonadecyl)phenol
CID 151687635
bis(2,3-dibutylphenyl)-hexylphosphane
CID 158747686
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
3-butyl-2-hexylphenol
CID 66867063
2-butyl-3-hexylphenol
CID 141346396
1-ethyl-2,3-dihexadecylbenzene
CID 154356590
2-butyl-1-octyl-3-propylbenzene
CID 141216645

Frequently Asked Questions

What is the IUPAC name of [2,3-di(nonyl)phenyl]phosphonous acid?
The IUPAC name of [2,3-di(nonyl)phenyl]phosphonous acid (CID 19736789) is [2,3-di(nonyl)phenyl]phosphonous acid.
What is the SMILES notation for [2,3-di(nonyl)phenyl]phosphonous acid?
The canonical SMILES for [2,3-di(nonyl)phenyl]phosphonous acid is CCCCCCCCCc1cccc(P(O)O)c1CCCCCCCCC.
What is the InChIKey of [2,3-di(nonyl)phenyl]phosphonous acid?
The InChIKey is YTCJVTWDPZDVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43O2P/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(27(25)26)23(22)20-16-14-12-10-8-6-4-2/h17,19,21,25-26H,3-16,18,20H2,1-2H3.
What are the key properties of [2,3-di(nonyl)phenyl]phosphonous acid?
[2,3-di(nonyl)phenyl]phosphonous acid has a molecular weight of 394.58 g/mol, XLogP of 7.19, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-di(nonyl)phenyl]phosphonous acid is sourced from PubChem (CID 19736789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).