methanol;2-nitrophenol

C7H9NO4 — CID 157303764

IUPACmethanol;2-nitrophenol
SMILESCO.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C6H5NO3.CH4O/c8-6-4-2-1-3-5(6)7(9)10;1-2/h1-4,8H;2H,1H3
InChIKeyBCFASYXIBZTTGS-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.91
Rot. Bonds1

About methanol;2-nitrophenol

methanol;2-nitrophenol (PubChem CID 157303764) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methanol;2-nitrophenol.

Molecular Properties

Compound Namemethanol;2-nitrophenol
PubChem CID157303764
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethanol;2-nitrophenol
SMILESCO.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C6H5NO3.CH4O/c8-6-4-2-1-3-5(6)7(9)10;1-2/h1-4,8H;2H,1H3
InChIKeyBCFASYXIBZTTGS-UHFFFAOYSA-N
XLogP0.91
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanol;2-nitrophenol?
The IUPAC name of methanol;2-nitrophenol (CID 157303764) is methanol;2-nitrophenol.
What is the SMILES notation for methanol;2-nitrophenol?
The canonical SMILES for methanol;2-nitrophenol is CO.O=[N+]([O-])c1ccccc1O.
What is the InChIKey of methanol;2-nitrophenol?
The InChIKey is BCFASYXIBZTTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.CH4O/c8-6-4-2-1-3-5(6)7(9)10;1-2/h1-4,8H;2H,1H3.
What are the key properties of methanol;2-nitrophenol?
methanol;2-nitrophenol has a molecular weight of 171.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-nitrophenol is sourced from PubChem (CID 157303764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).