4-nitroso-2-pentylphenol

C11H15NO2 — CID 88799968

IUPAC4-nitroso-2-pentylphenol
SMILESCCCCCc1cc(N=O)ccc1O
InChIInChI=1S/C11H15NO2/c1-2-3-4-5-9-8-10(12-14)6-7-11(9)13/h6-8,13H,2-5H2,1H3
InChIKeyFYDSLUOPKBXEIU-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.52
Rot. Bonds5

About 4-nitroso-2-pentylphenol

4-nitroso-2-pentylphenol (PubChem CID 88799968) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-nitroso-2-pentylphenol.

Molecular Properties

Compound Name4-nitroso-2-pentylphenol
PubChem CID88799968
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-nitroso-2-pentylphenol
SMILESCCCCCc1cc(N=O)ccc1O
InChIInChI=1S/C11H15NO2/c1-2-3-4-5-9-8-10(12-14)6-7-11(9)13/h6-8,13H,2-5H2,1H3
InChIKeyFYDSLUOPKBXEIU-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-hexyl-4-nitrosophenol
CID 139609706
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-hydroxy-3-pentylbenzaldehyde
CID 57447727
4-bromo-2-dodecylphenol
CID 25207881
2-nitroso-3-pentylphenol
CID 174862655
4-bromo-2-hexylphenol
CID 22134514
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
4,5-didecylbenzene-1,2-diol
CID 15667809

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-2-pentylphenol?
The IUPAC name of 4-nitroso-2-pentylphenol (CID 88799968) is 4-nitroso-2-pentylphenol.
What is the SMILES notation for 4-nitroso-2-pentylphenol?
The canonical SMILES for 4-nitroso-2-pentylphenol is CCCCCc1cc(N=O)ccc1O.
What is the InChIKey of 4-nitroso-2-pentylphenol?
The InChIKey is FYDSLUOPKBXEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-4-5-9-8-10(12-14)6-7-11(9)13/h6-8,13H,2-5H2,1H3.
What are the key properties of 4-nitroso-2-pentylphenol?
4-nitroso-2-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 4-nitroso-2-pentylphenol is sourced from PubChem (CID 88799968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).