2-hexyl-4-nitrosophenol

C12H17NO2 — CID 139609706

IUPAC2-hexyl-4-nitrosophenol
SMILESCCCCCCc1cc(N=O)ccc1O
InChIInChI=1S/C12H17NO2/c1-2-3-4-5-6-10-9-11(13-15)7-8-12(10)14/h7-9,14H,2-6H2,1H3
InChIKeyPZKYFRYNKVGYLH-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.91
Rot. Bonds6

About 2-hexyl-4-nitrosophenol

2-hexyl-4-nitrosophenol (PubChem CID 139609706) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-hexyl-4-nitrosophenol.

Molecular Properties

Compound Name2-hexyl-4-nitrosophenol
PubChem CID139609706
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-hexyl-4-nitrosophenol
SMILESCCCCCCc1cc(N=O)ccc1O
InChIInChI=1S/C12H17NO2/c1-2-3-4-5-6-10-9-11(13-15)7-8-12(10)14/h7-9,14H,2-6H2,1H3
InChIKeyPZKYFRYNKVGYLH-UHFFFAOYSA-N
XLogP3.91
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-nitroso-2-pentylphenol
CID 88799968
2-tridecylbenzene-1,4-diol
CID 19033717
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
4-nonyl-2-pentylphenol
CID 86162849
CID 70369806
CID 70369806
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
4-bromo-2-dodecylphenol
CID 25207881
4-bromo-2-hexylphenol
CID 22134514
4,5-didecylbenzene-1,2-diol
CID 15667809
4-butoxy-2-octadecylphenol
CID 21499280
4-hydroxy-3-pentylbenzaldehyde
CID 57447727

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-nitrosophenol?
The IUPAC name of 2-hexyl-4-nitrosophenol (CID 139609706) is 2-hexyl-4-nitrosophenol.
What is the SMILES notation for 2-hexyl-4-nitrosophenol?
The canonical SMILES for 2-hexyl-4-nitrosophenol is CCCCCCc1cc(N=O)ccc1O.
What is the InChIKey of 2-hexyl-4-nitrosophenol?
The InChIKey is PZKYFRYNKVGYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-4-5-6-10-9-11(13-15)7-8-12(10)14/h7-9,14H,2-6H2,1H3.
What are the key properties of 2-hexyl-4-nitrosophenol?
2-hexyl-4-nitrosophenol has a molecular weight of 207.27 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-nitrosophenol is sourced from PubChem (CID 139609706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).