2-nitroso-3-pentylphenol

C11H15NO2 — CID 174862655

IUPAC2-nitroso-3-pentylphenol
SMILESCCCCCc1cccc(O)c1N=O
InChIInChI=1S/C11H15NO2/c1-2-3-4-6-9-7-5-8-10(13)11(9)12-14/h5,7-8,13H,2-4,6H2,1H3
InChIKeyOEDRMCBUIOOSAS-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.52
Rot. Bonds5

About 2-nitroso-3-pentylphenol

2-nitroso-3-pentylphenol (PubChem CID 174862655) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-nitroso-3-pentylphenol.

Molecular Properties

Compound Name2-nitroso-3-pentylphenol
PubChem CID174862655
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-nitroso-3-pentylphenol
SMILESCCCCCc1cccc(O)c1N=O
InChIInChI=1S/C11H15NO2/c1-2-3-4-6-9-7-5-8-10(13)11(9)12-14/h5,7-8,13H,2-4,6H2,1H3
InChIKeyOEDRMCBUIOOSAS-UHFFFAOYSA-N
XLogP3.52
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.52
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

2-dodecylphenol
CID 160834917
formaldehyde;2-octadecylphenol
CID 67830879
2,3-di(nonadecyl)phenol
CID 151687635
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
carbonic acid;bis(2-nonylphenol)
CID 69221300
3-ethyl-2-octylphenol
CID 66867297
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
2-bromo-3-hexadecylphenol
CID 141212813

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-3-pentylphenol?
The IUPAC name of 2-nitroso-3-pentylphenol (CID 174862655) is 2-nitroso-3-pentylphenol.
What is the SMILES notation for 2-nitroso-3-pentylphenol?
The canonical SMILES for 2-nitroso-3-pentylphenol is CCCCCc1cccc(O)c1N=O.
What is the InChIKey of 2-nitroso-3-pentylphenol?
The InChIKey is OEDRMCBUIOOSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-4-6-9-7-5-8-10(13)11(9)12-14/h5,7-8,13H,2-4,6H2,1H3.
What are the key properties of 2-nitroso-3-pentylphenol?
2-nitroso-3-pentylphenol has a molecular weight of 193.25 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-3-pentylphenol is sourced from PubChem (CID 174862655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).