2-nitrosophenol

C6H5NO2 — CID 13462789

IUPAC2-nitrosophenol
SMILESO=Nc1ccccc1O
InChIInChI=1S/C6H5NO2/c8-6-4-2-1-3-5(6)7-9/h1-4,8H
InChIKeySEEZWGFVHCMHJF-UHFFFAOYSA-N
MW123.11 g/mol
LogP1.79
Rot. Bonds1

About 2-nitrosophenol

2-nitrosophenol (PubChem CID 13462789) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 2-nitrosophenol.

Molecular Properties

Compound Name2-nitrosophenol
PubChem CID13462789
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name2-nitrosophenol
SMILESO=Nc1ccccc1O
InChIInChI=1S/C6H5NO2/c8-6-4-2-1-3-5(6)7-9/h1-4,8H
InChIKeySEEZWGFVHCMHJF-UHFFFAOYSA-N
XLogP1.79
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-nitrosophenol?
The IUPAC name of 2-nitrosophenol (CID 13462789) is 2-nitrosophenol.
What is the SMILES notation for 2-nitrosophenol?
The canonical SMILES for 2-nitrosophenol is O=Nc1ccccc1O.
What is the InChIKey of 2-nitrosophenol?
The InChIKey is SEEZWGFVHCMHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-6-4-2-1-3-5(6)7-9/h1-4,8H.
What are the key properties of 2-nitrosophenol?
2-nitrosophenol has a molecular weight of 123.11 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosophenol is sourced from PubChem (CID 13462789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).