4-methoxy-2-nitrophenol

C7H7NO4 — CID 15285

IUPAC4-methoxy-2-nitrophenol
SMILESCOc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7NO4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
InChIKeyYBUGOACXDPDUIR-UHFFFAOYSA-N
MW169.14 g/mol
LogP1.31
Rot. Bonds2

About 4-methoxy-2-nitrophenol

4-methoxy-2-nitrophenol (PubChem CID 15285) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 4-methoxy-2-nitrophenol.

Molecular Properties

Compound Name4-methoxy-2-nitrophenol
PubChem CID15285
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name4-methoxy-2-nitrophenol
SMILESCOc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7NO4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
InChIKeyYBUGOACXDPDUIR-UHFFFAOYSA-N
XLogP1.31
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 51.31
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

2-Nitroanisole
CID 7048
2,5-Dinitrophenol
CID 9492
2,3-Dinitrophenol
CID 6191
2-Methoxy-4-nitroaniline
CID 7337
2,5-Dimethoxynitrobenzene
CID 66639
Nitrocatechol
CID 4675622
3-Nitroanisole
CID 11140
2,5-Dimethoxy-4-nitroaniline
CID 80581
1-Fluoro-4-methoxy-2-nitrobenzene
CID 565653
1-Iodo-2-methoxy-4-nitrobenzene
CID 230103
4-Iodo-3-nitroanisole
CID 292659
2-Amino-4-methoxyphenol
CID 1419108

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-nitrophenol?
The IUPAC name of 4-methoxy-2-nitrophenol (CID 15285) is 4-methoxy-2-nitrophenol.
What is the SMILES notation for 4-methoxy-2-nitrophenol?
The canonical SMILES for 4-methoxy-2-nitrophenol is COc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-nitrophenol?
The InChIKey is YBUGOACXDPDUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3.
What are the key properties of 4-methoxy-2-nitrophenol?
4-methoxy-2-nitrophenol has a molecular weight of 169.14 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-nitrophenol is sourced from PubChem (CID 15285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).