3-methoxy-4-methyl-5-nitrophenol

C8H9NO4 — CID 131555284

IUPAC3-methoxy-4-methyl-5-nitrophenol
SMILESCOc1cc(O)cc([N+](=O)[O-])c1C
InChIInChI=1S/C8H9NO4/c1-5-7(9(11)12)3-6(10)4-8(5)13-2/h3-4,10H,1-2H3
InChIKeyBUSNVFOQZDEMNZ-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.62
Rot. Bonds2

About 3-methoxy-4-methyl-5-nitrophenol

3-methoxy-4-methyl-5-nitrophenol (PubChem CID 131555284) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-methoxy-4-methyl-5-nitrophenol.

Molecular Properties

Compound Name3-methoxy-4-methyl-5-nitrophenol
PubChem CID131555284
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-methoxy-4-methyl-5-nitrophenol
SMILESCOc1cc(O)cc([N+](=O)[O-])c1C
InChIInChI=1S/C8H9NO4/c1-5-7(9(11)12)3-6(10)4-8(5)13-2/h3-4,10H,1-2H3
InChIKeyBUSNVFOQZDEMNZ-UHFFFAOYSA-N
XLogP1.62
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
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

4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
6-methoxy-2-methyl-3-nitrophenol
CID 10058181
4-chloro-3-methyl-5-nitrophenol
CID 118799935
2-methoxy-1,3,4-trimethyl-5-nitrobenzene
CID 22408512
benzene-1,4-diol;2-methyl-1,3,5-trinitrobenzene
CID 88762858
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
4-methyl-3-nitrophenol
CID 16271
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
CID 131213041
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
3-butoxy-5-methoxy-4-nitrophenol
CID 71221076
4-(3-methoxy-4-nitrophenyl)sulfanylphenol
CID 63675664
2-hydroxy-3-methoxy-6-nitrobenzoic acid
CID 154429384

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-5-nitrophenol?
The IUPAC name of 3-methoxy-4-methyl-5-nitrophenol (CID 131555284) is 3-methoxy-4-methyl-5-nitrophenol.
What is the SMILES notation for 3-methoxy-4-methyl-5-nitrophenol?
The canonical SMILES for 3-methoxy-4-methyl-5-nitrophenol is COc1cc(O)cc([N+](=O)[O-])c1C.
What is the InChIKey of 3-methoxy-4-methyl-5-nitrophenol?
The InChIKey is BUSNVFOQZDEMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-5-7(9(11)12)3-6(10)4-8(5)13-2/h3-4,10H,1-2H3.
What are the key properties of 3-methoxy-4-methyl-5-nitrophenol?
3-methoxy-4-methyl-5-nitrophenol has a molecular weight of 183.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-5-nitrophenol is sourced from PubChem (CID 131555284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).