4-nitrosophenol

C6H5NO2 — CID 7729

IUPAC4-nitrosophenol
SMILESO=Nc1ccc(O)cc1
InChIInChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
InChIKeyJSTCPNFNKICNNO-UHFFFAOYSA-N
MW123.11 g/mol
LogP1.79
Rot. Bonds1

About 4-nitrosophenol

4-nitrosophenol (PubChem CID 7729) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 4-nitrosophenol.

Molecular Properties

Compound Name4-nitrosophenol
PubChem CID7729
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name4-nitrosophenol
SMILESO=Nc1ccc(O)cc1
InChIInChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
InChIKeyJSTCPNFNKICNNO-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 4-nitrosophenol?
The IUPAC name of 4-nitrosophenol (CID 7729) is 4-nitrosophenol.
What is the SMILES notation for 4-nitrosophenol?
The canonical SMILES for 4-nitrosophenol is O=Nc1ccc(O)cc1.
What is the InChIKey of 4-nitrosophenol?
The InChIKey is JSTCPNFNKICNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H.
What are the key properties of 4-nitrosophenol?
4-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 4-nitrosophenol is sourced from PubChem (CID 7729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).