3-nitrosophenol

C6H5NO2 — CID 15651777

IUPAC3-nitrosophenol
SMILESO=Nc1cccc(O)c1
InChIInChI=1S/C6H5NO2/c8-6-3-1-2-5(4-6)7-9/h1-4,8H
InChIKeyLHISAEQORNEGAX-UHFFFAOYSA-N
MW123.11 g/mol
LogP1.79
Rot. Bonds1

About 3-nitrosophenol

3-nitrosophenol (PubChem CID 15651777) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 3-nitrosophenol.

Molecular Properties

Compound Name3-nitrosophenol
PubChem CID15651777
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name3-nitrosophenol
SMILESO=Nc1cccc(O)c1
InChIInChI=1S/C6H5NO2/c8-6-3-1-2-5(4-6)7-9/h1-4,8H
InChIKeyLHISAEQORNEGAX-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 3-nitrosophenol?
The IUPAC name of 3-nitrosophenol (CID 15651777) is 3-nitrosophenol.
What is the SMILES notation for 3-nitrosophenol?
The canonical SMILES for 3-nitrosophenol is O=Nc1cccc(O)c1.
What is the InChIKey of 3-nitrosophenol?
The InChIKey is LHISAEQORNEGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-6-3-1-2-5(4-6)7-9/h1-4,8H.
What are the key properties of 3-nitrosophenol?
3-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 3-nitrosophenol is sourced from PubChem (CID 15651777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).