ethane;5-methoxy-2-nitrophenol

C9H13NO4 — CID 143133372

IUPACethane;5-methoxy-2-nitrophenol
SMILESCC.COc1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C7H7NO4.C2H6/c1-12-5-2-3-6(8(10)11)7(9)4-5;1-2/h2-4,9H,1H3;1-2H3
InChIKeyFSMAPEJYEFCZLZ-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.34
Rot. Bonds2

About ethane;5-methoxy-2-nitrophenol

ethane;5-methoxy-2-nitrophenol (PubChem CID 143133372) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethane;5-methoxy-2-nitrophenol.

Molecular Properties

Compound Nameethane;5-methoxy-2-nitrophenol
PubChem CID143133372
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nameethane;5-methoxy-2-nitrophenol
SMILESCC.COc1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C7H7NO4.C2H6/c1-12-5-2-3-6(8(10)11)7(9)4-5;1-2/h2-4,9H,1H3;1-2H3
InChIKeyFSMAPEJYEFCZLZ-UHFFFAOYSA-N
XLogP2.34
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.34
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

2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol
CID 158270733
2,4-dibromo-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol
CID 159971508
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
CID 53341761
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456
(5-methoxy-2-nitrophenyl)methyl acetate
CID 70659279
4-methoxy-1-(methoxymethyl)-2-nitrobenzene
CID 10584070
3-bromo-1-(5-methoxy-2-nitrophenyl)propane-1,2-diol
CID 171861137
sodium 4-methoxy-2-nitrobenzenethiol
CID 23676641

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-2-nitrophenol?
The IUPAC name of ethane;5-methoxy-2-nitrophenol (CID 143133372) is ethane;5-methoxy-2-nitrophenol.
What is the SMILES notation for ethane;5-methoxy-2-nitrophenol?
The canonical SMILES for ethane;5-methoxy-2-nitrophenol is CC.COc1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of ethane;5-methoxy-2-nitrophenol?
The InChIKey is FSMAPEJYEFCZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.C2H6/c1-12-5-2-3-6(8(10)11)7(9)4-5;1-2/h2-4,9H,1H3;1-2H3.
What are the key properties of ethane;5-methoxy-2-nitrophenol?
ethane;5-methoxy-2-nitrophenol has a molecular weight of 199.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-2-nitrophenol is sourced from PubChem (CID 143133372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).