2-[nitroso(phenyl)methyl]-4-nonylphenol

C22H29NO2 — CID 54349256

IUPAC2-[nitroso(phenyl)methyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(C(N=O)c2ccccc2)c1
InChIInChI=1S/C22H29NO2/c1-2-3-4-5-6-7-9-12-18-15-16-21(24)20(17-18)22(23-25)19-13-10-8-11-14-19/h8,10-11,13-17,22,24H,2-7,9,12H2,1H3
InChIKeyUENQDBBYZHZEDB-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.54
Rot. Bonds11

About 2-[nitroso(phenyl)methyl]-4-nonylphenol

2-[nitroso(phenyl)methyl]-4-nonylphenol (PubChem CID 54349256) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[nitroso(phenyl)methyl]-4-nonylphenol.

Molecular Properties

Compound Name2-[nitroso(phenyl)methyl]-4-nonylphenol
PubChem CID54349256
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-[nitroso(phenyl)methyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(C(N=O)c2ccccc2)c1
InChIInChI=1S/C22H29NO2/c1-2-3-4-5-6-7-9-12-18-15-16-21(24)20(17-18)22(23-25)19-13-10-8-11-14-19/h8,10-11,13-17,22,24H,2-7,9,12H2,1H3
InChIKeyUENQDBBYZHZEDB-UHFFFAOYSA-N
XLogP6.54
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hexyl-2-propan-2-ylphenol
CID 154277952
2-[bromo(hydroxy)methyl]-4-octylphenol
CID 129073686
4-icosyl-2,6-bis(1-phenylethyl)phenol
CID 70441667
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
2-ethyl-4-heptylphenol
CID 58289223
2,4-dihexyl-1-(2-phenylpropyl)benzene
CID 141434142
4-pentyl-2-phenylphenol
CID 154147556
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
2-(1-phenylnonyl)phenol
CID 67177643
2-[(2-hydroxy-5-octadecylphenyl)disulfanyl]-4-octadecylphenol
CID 71319393
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311

Frequently Asked Questions

What is the IUPAC name of 2-[nitroso(phenyl)methyl]-4-nonylphenol?
The IUPAC name of 2-[nitroso(phenyl)methyl]-4-nonylphenol (CID 54349256) is 2-[nitroso(phenyl)methyl]-4-nonylphenol.
What is the SMILES notation for 2-[nitroso(phenyl)methyl]-4-nonylphenol?
The canonical SMILES for 2-[nitroso(phenyl)methyl]-4-nonylphenol is CCCCCCCCCc1ccc(O)c(C(N=O)c2ccccc2)c1.
What is the InChIKey of 2-[nitroso(phenyl)methyl]-4-nonylphenol?
The InChIKey is UENQDBBYZHZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-3-4-5-6-7-9-12-18-15-16-21(24)20(17-18)22(23-25)19-13-10-8-11-14-19/h8,10-11,13-17,22,24H,2-7,9,12H2,1H3.
What are the key properties of 2-[nitroso(phenyl)methyl]-4-nonylphenol?
2-[nitroso(phenyl)methyl]-4-nonylphenol has a molecular weight of 339.48 g/mol, XLogP of 6.54, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[nitroso(phenyl)methyl]-4-nonylphenol is sourced from PubChem (CID 54349256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).