5-methyl-2-nitrophenol

C7H7NO3 — CID 12788

IUPAC5-methyl-2-nitrophenol
SMILESCc1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3
InChIKeyNQXUSSVLFOBRSE-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.61
Rot. Bonds1

About 5-methyl-2-nitrophenol

5-methyl-2-nitrophenol (PubChem CID 12788) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-methyl-2-nitrophenol.

Molecular Properties

Compound Name5-methyl-2-nitrophenol
PubChem CID12788
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name5-methyl-2-nitrophenol
SMILESCc1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3
InChIKeyNQXUSSVLFOBRSE-UHFFFAOYSA-N
XLogP1.61
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-nitrophenol?
The IUPAC name of 5-methyl-2-nitrophenol (CID 12788) is 5-methyl-2-nitrophenol.
What is the SMILES notation for 5-methyl-2-nitrophenol?
The canonical SMILES for 5-methyl-2-nitrophenol is Cc1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of 5-methyl-2-nitrophenol?
The InChIKey is NQXUSSVLFOBRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3.
What are the key properties of 5-methyl-2-nitrophenol?
5-methyl-2-nitrophenol has a molecular weight of 153.14 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitrophenol is sourced from PubChem (CID 12788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).