3-methyl-4-nitrosophenol

C7H7NO2 — CID 11981

IUPAC3-methyl-4-nitrosophenol
SMILESCc1cc(O)ccc1N=O
InChIInChI=1S/C7H7NO2/c1-5-4-6(9)2-3-7(5)8-10/h2-4,9H,1H3
InChIKeyXGCZABZDVJOWTL-UHFFFAOYSA-N
MW137.14 g/mol
LogP2.10
Rot. Bonds1

About 3-methyl-4-nitrosophenol

3-methyl-4-nitrosophenol (PubChem CID 11981) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-methyl-4-nitrosophenol.

Molecular Properties

Compound Name3-methyl-4-nitrosophenol
PubChem CID11981
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name3-methyl-4-nitrosophenol
SMILESCc1cc(O)ccc1N=O
InChIInChI=1S/C7H7NO2/c1-5-4-6(9)2-3-7(5)8-10/h2-4,9H,1H3
InChIKeyXGCZABZDVJOWTL-UHFFFAOYSA-N
XLogP2.10
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitrosophenol?
The IUPAC name of 3-methyl-4-nitrosophenol (CID 11981) is 3-methyl-4-nitrosophenol.
What is the SMILES notation for 3-methyl-4-nitrosophenol?
The canonical SMILES for 3-methyl-4-nitrosophenol is Cc1cc(O)ccc1N=O.
What is the InChIKey of 3-methyl-4-nitrosophenol?
The InChIKey is XGCZABZDVJOWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5-4-6(9)2-3-7(5)8-10/h2-4,9H,1H3.
What are the key properties of 3-methyl-4-nitrosophenol?
3-methyl-4-nitrosophenol has a molecular weight of 137.14 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitrosophenol is sourced from PubChem (CID 11981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).